SCHEMBL7649243

SCHEMBL7649243

CC(C)(C)c1cc(COC(=O)C(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)C(=O)O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.39
CYP2C9 P11712 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR5A2 O00482 1/20 0.37
NR5A1 Q13285 1/20 0.37
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36
HSPA5 P11021 2/20 0.35
HIF1A Q16665 3/20 0.34
CYP2D6 P10635 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3124479 0.87 CYP2C19 (0.46) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL30021174 0.85 NR5A2 (0.47) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL3679812 0.85 NR5A2 (0.47) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL27459727 0.83 NR5A2 (0.46) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL6057810 0.80 ALDH1A1 (0.42) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL11001139 0.80 ALDH1A1 (0.42) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL27976885 0.79 CYP2C19 (0.43) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL7597579 0.79 NR5A2 (0.44) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL5322644 0.78 NR5A2 (0.41) CYP2C19CYP2C9CYP1A2CYP3A4TSHR
SCHEMBL28948169 0.78 NR5A2 (0.47) CYP2C19CYP2C9CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108350383-A Lubricant composition 巴斯夫欧洲公司 2018-07-31 CN disclosed
CN-108291167-A Lubricant compositions 巴斯夫欧洲公司 2018-07-17 CN disclosed
EP-1263856-A1 STABILIZER COMPOSITION BASF AKTIENGESELLSCHAFT (DE) 2002-12-11 EP disclosed
WO-2001057122-A1 STABILIZER COMPOSITION BASF AKTIENGESELLSCHAFT (DE) 2001-08-09 WO disclosed