SCHEMBL7715850

SCHEMBL7715850

COc1cc(CCc2ccc(-c3ccc(O)cc3)cc2)ccc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
TSHR P16473 2/20 0.53
CYP3A4 P08684 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP19A1 P11511 2/20 0.53
MET P08581 3/20 0.52
PTPN1 P18031 2/20 0.50
TAAR1 Q96RJ0 2/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
AKR1B1 P15121 1/20 0.46
NOS2 P35228 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45

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
SCHEMBL9516946 0.85 ALDH1A1 (0.77) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL7715224 0.84 PTPN1 (0.71) ALDH1A1TSHRCYP3A4TDP1PTPN1
SCHEMBL11675822 0.81 PTPN1 (0.54) ALDH1A1TSHRCYP3A4HSD17B10CYP19A1
SCHEMBL27422297 0.78 PTPN1 (0.77) ALDH1A1TSHRCYP3A4TDP1PTPN1
SCHEMBL31337400 0.78 PTPN1 (0.77) ALDH1A1TSHRCYP3A4TDP1PTPN1
SCHEMBL8868058 0.78 ALDH1A1 (0.67) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL5132141 0.78 ALDH1A1 (0.71) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL1299605 0.76 ALDH1A1 (0.69) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL13181141 0.76 ALDH1A1 (0.69) ALDH1A1TSHRCYP3A4HSD17B10TDP1
SCHEMBL28403764 0.76 AKR1B1 (0.69) CYP19A1METPTPN1AKR1B1NOS2

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