SCHEMBL9862310

SCHEMBL9862310

CCCCCCCCc1ccc(CCCCCCCC)c(CCCCCCCC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.53
ESR1 P03372 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
TP53 P04637 2/20 0.53
CYP3A4 P08684 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
SHBG P04278 1/20 0.53
HSPD1 P10809 1/20 0.53
ADRB3 P13945 1/20 0.53
HTR2C P28335 1/20 0.53
HSPE1 P61604 1/20 0.53
HIF1A Q16665 1/20 0.53
TST Q16762 1/20 0.53

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
SCHEMBL9862240 1.00 PTGS2 (0.53) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL8561136 0.98 CYP3A4 (0.50) PTGS2ESR1ADRA2AADORA3TACR2
Ethylene SCHEMBL28058323 0.96 ESR1 (0.50) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL28269178 0.94 TP53 (0.50) PTGS2ESR1ADRA2AADORA3TACR2
Ethylene SCHEMBL28058316 0.94 CYP3A4 (0.47) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL9355513 0.92 ESR1 (0.50) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL9485320 0.91 SKP2 (0.52) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL26239795 0.91 PTGS2 (0.50) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL26239820 0.91 BCHE (0.54) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL28004760 0.89 SKP2 (0.50) PTGS2ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115335345-A Method for producing building material composition for 3D printing 麦提建筑公司 2022-11-11 CN claimed
CN-115335345-A Method for producing building material composition for 3D printing 麦提建筑公司 2022-11-11 CN disclosed
US-5055626-A Novel lubricants MOBIL OIL CORPORATION (US) 1991-10-08 US disclosed
EP-0207737-B1 PROCESS FOR THE STABILIZATION OF MERCAPTOBENZOTHIAZOLE IN A LUBRICATING OIL COMPOSITION EXXON RESEARCH AND ENGINEERING COMPANY (US) 1990-12-19 EP disclosed
EP-0207737-A2 Process for the stabilization of mercaptobenzothiazole in a lubricating oil composition EXXON RESEARCH AND ENGINEERING COMPANY (US) 1987-01-07 EP disclosed
US-4589991-A FORMING AN AMINE SALT OF MERCAPTOBENZOTHIAZOLE, DISSOLVING IN AROMATIC ETHER SOLVENT EXXON RESEARCH & ENGINEERING CO. (US) 1986-05-20 US disclosed
US-4039793-A PRODUCTION OF MONOCHLORO- AND ARYL SUBSTITUTED SATURATED COMPOUNDS UOP INC. (US) 1977-08-02 US disclosed