SCHEMBL8897481

SCHEMBL8897481

C=Cc1ccc(OC(C)OC)cc1.OC=Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
CYP3A4 P08684 3/20 0.38
TP53 P04637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 1/20 0.38
MTOR P42345 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL8898532 0.87 RELA (0.43) TRPA1ALDH1A1TSHRPPARGPPARA
Styrene SCHEMBL8521972 0.85 STAT3 (0.42) TRPA1ALDH1A1TSHRPPARGPPARA
SCHEMBL685582 0.83 ALDH1A1 (0.46) TRPA1ALDH1A1TSHRCYP3A4TP53
SCHEMBL3695401 0.80 ALDH1A1 (0.48) TRPA1ALDH1A1TSHRCYP3A4TP53
SCHEMBL27932634 0.79 ALDH1A1 (0.64) TRPA1ALDH1A1TSHRCYP3A4CYP2C9
Styrene SCHEMBL546105 0.78 ALDH1A1 (0.67) TRPA1ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL6278668 0.76 CYP3A4 (0.35) ALDH1A1TSHRCYP3A4TP53CYP2C9
SCHEMBL8897477 0.75 TRPA1 (0.45) TRPA1ALDH1A1PPARGPPARACYP3A4
Styrene SCHEMBL27988877 0.74 ALDH1A1 (0.61) TRPA1ALDH1A1TSHRCYP3A4CYP2C9
4-Vinylphenol SCHEMBL6984387 0.73 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670299-A COATING A PHOTORESISTS POLYMER ON A SUBSTRATE, DEVELOPMENT AND HEAT TREATMENT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-23 US disclosed