SCHEMBL7709750

SCHEMBL7709750

COc1cccc(CCc2ccc(-c3ccc(O)cc3)cc2)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
PTGS2 P35354 1/20 0.55
IDO1 P14902 1/20 0.53
CALM1 P0DP23 2/20 0.49
ABCB1 P08183 5/20 0.47
BCHE P06276 3/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43
GFER P55789 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
SCHEMBL8680676 0.84 ALOX5 (0.61) ALOX5PTGS2IDO1CALM1ABCB1
SCHEMBL23748452 0.75 ALOX5 (0.77) ALOX5PTGS2IDO1CALM1ALDH1A1
SCHEMBL5657934 0.74 ALOX5 (0.65) ALOX5PTGS2IDO1CALM1ALDH1A1
SCHEMBL16088316 0.74 TAAR1 (0.67) ALOX5PTGS2IDO1CALM1ALDH1A1
Mequinol SCHEMBL27505839 0.74 ALOX5 (0.73) ALOX5PTGS2IDO1CALM1ALDH1A1
SCHEMBL7715224 0.73 PTPN1 (0.71) ALOX5CALM1ALDH1A1LMNACYP3A4
SCHEMBL59746 0.72 ALOX5 (0.90) ALOX5PTGS2IDO1CALM1ALDH1A1
SCHEMBL29365570 0.72 ALOX5 (0.90) ALOX5PTGS2IDO1CALM1ALDH1A1
Hydrochloric Acid SCHEMBL16037890 0.72 IDO1 (0.65) ALOX5PTGS2IDO1CALM1ALDH1A1
SCHEMBL28638329 0.72 ESR1 (0.82) PTGS2ALDH1A1KDM4ELMNATP53

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
US-6376524-B1 ANTIALLERGENS, ANTIHISTAMINES SUNESIS PHARMACEUTICALS, INC. 2002-04-23 US disclosed
WO-2001098245-A2 TRIPHENYL COMPOUNDS AS INTERLEUKIN-4 ANTAGONISTS SUNESIS PHARMACEUTICALS, INC. (US) 2001-12-27 WO disclosed