SCHEMBL31330199

SCHEMBL31330199

c1cc2c3c(cccc3c1)C1=C2C2CCC1C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 4/20 0.46
MAPK1 P28482 3/20 0.46
TSHR P16473 3/20 0.46
ATM Q13315 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CES2 O00748 1/20 0.43
BCHE P06276 1/20 0.43
CES1 P23141 1/20 0.43
MCL1 Q07820 1/20 0.43
HPGD P15428 3/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
TP53 P04637 1/20 0.41
HIF1A Q16665 1/20 0.41
TYMS P04818 2/20 0.40
PARP1 P09874 1/20 0.39
CYP3A4 P08684 2/20 0.38
PABPC1 P11940 2/20 0.38
DNMT1 P26358 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
SCHEMBL3907879 0.71 CYP1A2 (0.37) ALDH1A1HSD17B10TSHRL3MBTL1BCHE
Ammonia Solution, Strong SCHEMBL27626211 0.67 ALDH1A1 (0.81) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL11650185 0.67 MEN1 (0.48) ALDH1A1MAPK1TSHRCES2BCHE
Fluoranthene SCHEMBL8873541 0.65 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPK1TSHRATM
Fluoranthene SCHEMBL29355720 0.65 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL23525587 0.65 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPK1TSHRATM
Fluoranthene SCHEMBL27152 0.65 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPK1TSHRATM
Naphthalene SCHEMBL15562939 0.65 ALDH1A1 (0.88) ALDH1A1HSD17B10MAPK1TSHRATM
Fluoranthene SCHEMBL29396242 0.65 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPK1TSHRATM
SCHEMBL5656656 0.64 ALDH1A1 (0.57) ALDH1A1HSD17B10MAPK1TSHRATM

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
CN-119371641-A Cyclic olefin ring-opening polymer and hydride thereof 杭州睿丰融创科技有限公司 2025-01-28 CN disclosed