SCHEMBL7794810

SCHEMBL7794810

CCc1cc(CCC(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.57
GAA P10253 6/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.45
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
AGTR1 P30556 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL11015322 0.91 GAA (0.55) HSPA5GAAKMT2AMEN1RXRA
Glycerin SCHEMBL10618611 0.91 HSPA5 (0.48) HSPA5GAAKMT2AMEN1RXRA
SCHEMBL39190 0.89 GAA (0.66) GAAKMT2AMEN1RXRARXRB
SCHEMBL6904238 0.88 GAA (0.52) HSPA5GAAKMT2AMEN1RXRA
Triethylene Glycol SCHEMBL8819163 0.88 HSPA5 (0.46) HSPA5GAAKMT2AMEN1RXRA
SCHEMBL27258380 0.88 GAA (0.55) HSPA5GAAKMT2AMEN1RXRA
SCHEMBL7796395 0.88 HSPA5 (0.43) HSPA5GAAKMT2AMEN1RXRA
SCHEMBL30578512 0.88 GAA (0.55) HSPA5GAAKMT2AMEN1RXRA
Butane SCHEMBL11762703 0.87 GAA (0.64) GAAKMT2AMEN1RXRARXRB
Alcohol SCHEMBL29715077 0.87 GAA (0.60) GAAKMT2AMEN1RXRARXRB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2602300-B1 PHOTOCHROMIC COMPOSITION TOKUYAMA CORP (JP) 2019-06-12 EP disclosed
US-9234984-B2 Photochromic composition TOKUYAMA CORPORATION (JP) 2016-01-12 US disclosed
US-20130215488-A1 Photochromic Composition TOKUYAMA CORPORATION (JP) 2013-08-22 US disclosed
EP-2602300-A1 PHOTOCHROMIC COMPOSITION Tokuyama Corporation (JP) 2013-06-12 EP disclosed
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP disclosed
EP-0154518-A2 Phenolic compound, resin stabilizer containing it, and synthetic resins stabilized thereby SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-09-11 EP disclosed