SCHEMBL7709744

SCHEMBL7709744

COc1cc(CCc2ccc(Oc3ccccc3)cc2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.60
TAAR1 Q96RJ0 2/20 0.59
TSHR P16473 2/20 0.59
MAPK1 P28482 1/20 0.59
F2 P00734 1/20 0.58
NOS2 P35228 1/20 0.58
LMNA P02545 1/20 0.58
GLA P06280 1/20 0.58
ALOX5 P09917 2/20 0.56
AKR1B1 P15121 1/20 0.56
GAA P10253 3/20 0.53
ATM Q13315 1/20 0.53
ALDH1A1 P00352 1/20 0.53
NFKB1 P19838 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
IGF1R P08069 1/20 0.53
ALOX15 P16050 1/20 0.53
OR51E2 Q9H255 1/20 0.52
CALM1 P0DP23 1/20 0.52
ADRB2 P07550 1/20 0.52

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
SCHEMBL16355871 0.89 PTPN1 (0.70) PTPN1TAAR1TSHRMAPK1NOS2
SCHEMBL23754156 0.89 PTPN1 (0.70) PTPN1TAAR1TSHRMAPK1NOS2
SCHEMBL7715209 0.88 PTPN1 (0.60) PTPN1TAAR1TSHRMAPK1F2
SCHEMBL29740697 0.85 PTPN1 (0.79) PTPN1TAAR1TSHRMAPK1NOS2
SCHEMBL7769340 0.84 PTPN1 (0.64) PTPN1TAAR1TSHRMAPK1NOS2
SCHEMBL8864080 0.84 LTA4H (0.55) TSHRMAPK1GAAALDH1A1POLB
SCHEMBL29604390 0.83 PTPN1 (0.82) PTPN1TAAR1TSHRMAPK1NOS2
SCHEMBL17780116 0.83 PTPN1 (0.82) PTPN1TAAR1TSHRMAPK1NOS2
SCHEMBL27779114 0.81 ALOX5 (0.75) PTPN1TAAR1TSHRMAPK1LMNA
SCHEMBL29105738 0.81 ALOX5 (0.75) PTPN1TAAR1TSHRMAPK1LMNA

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