SCHEMBL5797963

SCHEMBL5797963

CC(=O)c1c(C)ccc(C)c1O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PRKCI P41743 1/20 0.38
TRPA1 O75762 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
ELANE P08246 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 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
SCHEMBL3280277 0.86 THRB (0.54) THRBALDH1A1CYP3A4HPGDMEN1
SCHEMBL29973339 0.86 THRB (0.54) THRBALDH1A1CYP3A4HPGDMEN1
SCHEMBL28020552 0.86 THRB (0.48) THRBALDH1A1CYP3A4HPGDMEN1
SCHEMBL12824158 0.84 THRB (0.48) THRBALDH1A1CYP3A4HPGDMEN1
SCHEMBL23399816 0.81 PRKCI (0.49) THRBALDH1A1CYP3A4HPGDMEN1
SCHEMBL23190743 0.81 CYP3A4 (0.55) ALDH1A1CYP3A4HPGDKDM4EHSD17B10
SCHEMBL31643742 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4HPGDKMT2AKDM4E
SCHEMBL3484657 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4HPGDKMT2AKDM4E
SCHEMBL13100146 0.79 LMNA (0.43) THRBCYP3A4HPGDKDM4ETRPA1
SCHEMBL28076699 0.79 LMNA (0.39) THRBALDH1A1CYP3A4HPGDKDM4E

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed
EP-1631562-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS Pharmacia Corporation (US) 2006-03-08 EP disclosed
WO-2004087687-A1 CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS PHARMACIA CORPORATION (US) 2004-10-14 WO disclosed
US-5945382-A AND A METHOD OF THEIR PREPARATION BY CHLORINATION OF AN INTERMEDIATE ARYLPYRAZOLE; PROTECTION AGAINST FUNGAL DISEASES IN TOMATO, RICE, AND WHEAT PLANTS RHONE-POULENC AGROCHIMIE (FR) 1999-08-31 US disclosed