SCHEMBL3958327

SCHEMBL3958327

CC(=O)OCCOC(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.69
▸ TDP1 Q9NUW8 2/20 0.68
▸ MAPK1 P28482 2/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ SLC6A2 P23975 1/20 0.55
▸ SLC6A3 Q01959 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TSHR P16473 2/20 0.55
▸ ESR1 P03372 1/20 0.54
▸ ESR2 Q92731 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ PKM P14618 2/20 0.50
▸ F2 P00734 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3956345 0.94 LMNA (0.62) LMNATDP1MAPK1HIF1ASLC6A2
SCHEMBL12126238 0.94 LMNA (0.62) LMNATDP1MAPK1HIF1ASLC6A2
SCHEMBL17797844 0.94 LMNA (0.62) LMNATDP1MAPK1HIF1ASLC6A2
SCHEMBL27713796 0.92 TDP1 (0.75) LMNATDP1MAPK1HIF1ASLC6A2
Propene SCHEMBL3957158 0.91 LMNA (0.59) LMNATDP1MAPK1HIF1ASLC6A2
Acetic Acid Propyl Ester SCHEMBL28249379 0.91 LMNA (0.86) LMNATDP1MAPK1HIF1ASLC6A2
SCHEMBL18643850 0.91 TDP1 (0.79) LMNATDP1MAPK1HIF1ASLC6A2
SCHEMBL11193911 0.90 ESR1 (0.57) LMNATDP1MAPK1SLC6A2TSHR
SCHEMBL137486 0.89 TDP1 (0.83) LMNATDP1MAPK1HIF1ASLC6A2
SCHEMBL27992744 0.88 LMNA (0.69) LMNATDP1MAPK1HIF1ASLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358376-B2 Poly(vinyl acetal) resin compositions, layers, and interlayers having enhanced optical properties SOLUTIA INC. (US) 2022-06-14 — — US disclosed
EP-2358803-B1 CONTAINER AND COMPOSITION WITH DIESTER GAS BARRIER ENHANCING COMPOUNDS COCA COLA CO (US) 2021-06-30 — — EP disclosed
US-10563057-B2 Poly(vinyl acetal) resin compositions, layers, and interlayers having enhanced optical properties SOLUTIA INC. (US) 2020-02-18 — — US disclosed
EP-2358804-B1 PET CONTAINER AND COMPOSITIONS HAVING ENHANCED MECHANICAL PROPERTIES AND GAS BARRIER PROPERTIES COCA COLA CO (US) 2020-02-05 — — EP disclosed
US-20190202179-A1 POLY(VINYL ACETAL) RESIN COMPOSITIONS, LAYERS, AND INTERLAYERS HAVING ENHANCED OPTICAL PROPERTIES SOLUTIA INC. (US) 2019-07-04 — — US disclosed
US-9587086-B2 Poly(vinyl acetal) resin compositions, layers, and interlayers having enhanced optical properties EASTMAN CHEMICAL COMPANY (US) 2017-03-07 — — US disclosed
US-9464184-B2 Container and composition for enhanced gas barrier properties THE COCA-COLA COMPANY (US) 2016-10-11 — — US disclosed
US-20160159051-A1 POLY(VINYL ACETAL) RESIN COMPOSITIONS, LAYERS, AND INTERLAYERS HAVING ENHANCED OPTICAL PROPERTIES SOLUTIA INC. (US) 2016-06-09 — — US disclosed
US-20160160005-A1 POLY(VINYL ACETAL) RESIN COMPOSITIONS, LAYERS, AND INTERLAYERS HAVING ENHANCED OPTICAL PROPERTIES SOLUTION INC. (US) 2016-06-09 — — US disclosed
US-9359488-B2 Pet container and compositions having enhanced mechanical properties and gas barrier properties and methods THE COCA-COLA COMPANY (US) 2016-06-07 — — US disclosed
EP-0673916-B1 Preparation of 2,2,4-trimethyl-1,3-pentanediol dibenzoate and di(alkyl-substituted) benzoates VELSICOL CHEMICAL CORP (US) 1998-01-07 — — EP disclosed
EP-0416822-B1 Stain-resistant plasticizer compositions and method of making same VELSICOL CHEMICAL CORP (US) 1996-03-13 — — EP disclosed
EP-0673916-A1 Preparation of 2,2,4-trimethyl-1,3-pentanediol dibenzoate and di(alkyl-substituted) benzoates VELSICOL CHEMICAL CORPORATION (US) 1995-09-27 — — EP disclosed
US-5153342-A Esterification of 2,2,4-trimethyl-1,3-pentanediol with (alkyl) benzoic acids using basic catalysts HULS AMERICA INC. (US) 1992-10-06 — — US disclosed
EP-0181710-B1 STAIN-RESISTANT PLASTICIZERS AND POLYVINYL CHLORIDE COMPOSITIONS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-12-11 — — EP disclosed
US-5039728-A Floor and wall coverings; vinly chloride homo- and copolymers HULS AMERICA INC. (US) 1991-08-13 — — US disclosed
US-5006585-A Hydroxy ester compounds, stain resistance, vinyl chloride polymers HULS AMERICA INC. (US) 1991-04-09 — — US disclosed
EP-0416822-A2 Stain-resistant plasticizer compositions and method of making same VELSICOL CHEMICAL CORPORATION (US) 1991-03-13 — — EP disclosed
US-4656214-A DIESTERS EXXON RESEARCH & ENGINEERING CO. (US) 1987-04-07 — — US disclosed
EP-0181710-A2 Stain-resistant plasticizers and polyvinyl chloride compositions EXXON RESEARCH AND ENGINEERING COMPANY (US) 1986-05-21 — — EP disclosed
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