SCHEMBL8766396

SCHEMBL8766396

COC(=O)c1ccc2c(c1)CC=C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
CA7 P43166 2/20 0.47
CA14 Q9ULX7 2/20 0.47
XDH P47989 1/20 0.47
PTPRC P08575 1/20 0.45
TRPA1 O75762 4/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL876227 0.87 PTPRC (0.49) CA1CA2CA12CA9CA7
Hydrochloric Acid SCHEMBL27902605 0.85 PTPRC (0.48) CA1CA2CA12CA9CA7
SCHEMBL31249053 0.84 CA1 (0.45) CA1CA2CA12CA9CA7
SCHEMBL28607453 0.84 CA1 (0.45) CA1CA2CA12CA9CA7
SCHEMBL27375740 0.83 SRD5A1 (0.43) CA1CA2CA12CA9CA14
SCHEMBL29521291 0.81 CA1 (0.42) CA1CA2CA12CA9CA7
SCHEMBL29562345 0.81 CA1 (0.42) CA1CA2CA12CA9CA7
SCHEMBL4589714 0.80 ALDH1A1 (0.50) CA1CA2CA12CA9CA7
Bromide SCHEMBL29520859 0.80 CA1 (0.41) CA1CA2CA12CA9CA7
Hydrochloric Acid SCHEMBL3142402 0.79 MAPT (0.50) MAPTKDM4EALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0505972-B1 Process for producing styrenic copolymer IDEMITSU KOSAN CO (JP) 1997-06-11 EP disclosed
EP-0505972-A2 Process for producing styrenic copolymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-09-30 EP disclosed