SCHEMBL7779425

SCHEMBL7779425

C=Cc1ccc(Cc2ccc(CCO)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.43
CYP4F2 P78329 4/20 0.40
CYP4A11 Q02928 4/20 0.40
TSHR P16473 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX5 P09917 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
BACE1 P56817 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
SCHEMBL394725 0.94 ALDH1A1 (0.52) CA2ALDH1A1TDP1CYP4F2CYP4A11
SCHEMBL7518860 0.88 CA2 (0.46) CA2ALDH1A1TDP1CYP4F2CYP4A11
SCHEMBL50300 0.84 ALDH1A1 (0.65) CA2ALDH1A1TDP1TSHRCA1
SCHEMBL7772314 0.82 CA2 (0.42) CA2ALDH1A1TDP1CYP4F2CYP4A11
SCHEMBL7719756 0.82 CA2 (0.65) CA2ALDH1A1TDP1CYP4F2CYP4A11
SCHEMBL11041030 0.81 TDP1 (0.48) CA2ALDH1A1TDP1CYP4F2CYP4A11
SCHEMBL3627943 0.81 ALDH1A1 (0.48) CA2ALDH1A1TDP1CYP4F2CYP4A11
SCHEMBL50012 0.79 ALDH1A1 (0.65) CA2ALDH1A1TDP1TSHRCA1
SCHEMBL1647493 0.79 ALDH1A1 (0.65) CA2ALDH1A1TDP1TSHRCA1
SCHEMBL3628949 0.79 CA2 (0.47) CA2ALDH1A1TDP1CYP4F2CYP4A11

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-1129116-A1 NOVEL POLYMERIZABLE MATERIALS AND NOVEL POLYESTER RESINS Zaitsev, Boris A. (RU) 2001-09-05 EP disclosed
WO-2000023485-A1 NOVEL POLYMERIZABLE MATERIALS AND NOVEL POLYESTER RESINS ZAITSEV BORIS A (RU) 2000-04-27 WO disclosed