SCHEMBL11270952

SCHEMBL11270952

O=C(O)c1cc(=O)c(Oc2ccc(O)cc2)co1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PTGER4 P35408 2/20 0.43
AKR1B1 P15121 1/20 0.41
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
POLB P06746 1/20 0.38
APOBEC3A P31941 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
LTA4H P09960 1/20 0.38
NR1H2 P55055 1/20 0.38
BAX Q07812 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PCNA P12004 1/20 0.37

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
SCHEMBL11265196 0.83 ALDH1A1 (0.42) NPC1RAB9APOLBAPOBEC3ACTDSP1
SCHEMBL11271259 0.81 AKR1B1 (0.50) NPC1RAB9AMEN1KMT2AAKR1B1
SCHEMBL11282494 0.79 CASP1 (0.41) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL11277288 0.78 THRA (0.39) PTGER4THRATHRBKDM4EALDH1A1
SCHEMBL3217997 0.74 SMN1; SMN2 (0.55) RAB9AKDM4EALDH1A1
SCHEMBL14818675 0.74 SMN1; SMN2 (0.37) NPC1RAB9AKMT2APTGER4AKR1B1
SCHEMBL11267250 0.74 HTT (0.53) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL9356623 0.73 RAB9A (0.52) NPC1RAB9AMEN1KMT2APTGER4
SCHEMBL1037140 0.73 PTGER4 (0.52) NPC1RAB9AMEN1KMT2APTGER4
SCHEMBL10328539 0.72 PTGER4 (0.49) NPC1RAB9AMEN1KMT2APTGER4

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-4364956-A ASTHMA LILLY INDUSTRIES LIMITED (GB) 1982-12-21 US disclosed