SCHEMBL9415397

SCHEMBL9415397

CCC(=C(c1ccc(OCC(O)CN2CCCC2)cc1)c1ccc(OC(=O)C2CC2)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
ABCB1 P08183 5/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP2D6 P10635 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.49
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL9415764 1.00 POLB (0.56) POLBABCB1RAB9AMEN1KMT2A
SCHEMBL9415767 1.00 POLB (0.56) POLBABCB1RAB9AMEN1KMT2A
SCHEMBL9415393 1.00 POLB (0.56) POLBABCB1RAB9AMEN1KMT2A
SCHEMBL9414795 0.92 POLB (0.61) POLBABCB1RAB9AMEN1KMT2A
SCHEMBL9414791 0.92 POLB (0.61) POLBABCB1RAB9AMEN1KMT2A
SCHEMBL9415247 0.92 POLB (0.61) POLBABCB1RAB9AMEN1KMT2A
SCHEMBL9415244 0.92 POLB (0.61) POLBABCB1RAB9AMEN1KMT2A
SCHEMBL9414951 0.90 HSD17B10 (0.47) POLBABCB1RAB9AMEN1KMT2A
SCHEMBL9414954 0.90 HSD17B10 (0.47) POLBABCB1RAB9AMEN1KMT2A
SCHEMBL9415558 0.90 HSD17B10 (0.47) POLBABCB1RAB9AMEN1KMT2A

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
EP-0589039-A1 TRIPHENYLETHYLENE DERIVATIVE AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1994-03-30 EP disclosed