SCHEMBL7715224

SCHEMBL7715224

COc1cc(CCc2ccc(-c3ccc(O)cc3)cc2)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.71
TAAR1 Q96RJ0 2/20 0.65
TSHR P16473 2/20 0.65
MAPK1 P28482 1/20 0.65
NOS2 P35228 1/20 0.63
LMNA P02545 1/20 0.63
GLA P06280 1/20 0.63
AKR1B1 P15121 1/20 0.57
ALOX5 P09917 2/20 0.56
OR51E2 Q9H255 1/20 0.56
MAOB P27338 1/20 0.56
CALM1 P0DP23 1/20 0.56
FOS P01100 1/20 0.54
TTR P02766 1/20 0.54
JUN P05412 1/20 0.54
NR3C1 P04150 1/20 0.54
HSD17B1 P14061 1/20 0.54
HSD17B2 P37059 1/20 0.54
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL31337400 0.95 PTPN1 (0.77) PTPN1TAAR1TSHRMAPK1NOS2
SCHEMBL27422297 0.95 PTPN1 (0.77) PTPN1TAAR1TSHRMAPK1NOS2
SCHEMBL29740697 0.89 PTPN1 (0.79) PTPN1TAAR1TSHRMAPK1NOS2
SCHEMBL7769340 0.89 PTPN1 (0.64) PTPN1TAAR1TSHRMAPK1NOS2
SCHEMBL17780116 0.88 PTPN1 (0.82) PTPN1TAAR1TSHRMAPK1NOS2
SCHEMBL29604390 0.88 PTPN1 (0.82) PTPN1TAAR1TSHRMAPK1NOS2
SCHEMBL7717965 0.87 PTPN1 (0.62) PTPN1TAAR1TSHRMAPK1NOS2
SCHEMBL7715850 0.84 ALDH1A1 (0.57) PTPN1TAAR1TSHRMAPK1NOS2
SCHEMBL23754156 0.83 PTPN1 (0.70) PTPN1TAAR1TSHRMAPK1NOS2
SCHEMBL16355871 0.83 PTPN1 (0.70) PTPN1TAAR1TSHRMAPK1NOS2

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-6376524-B1 ANTIALLERGENS, ANTIHISTAMINES SUNESIS PHARMACEUTICALS, INC. 2002-04-23 US disclosed