SCHEMBL10464019

SCHEMBL10464019

CCCCn1c(-c2ccc(Cl)cc2)cc(=O)c(C(=O)O)c1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMPD1 P17405 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
CTRC Q99895 1/20 0.39
ESR1 P03372 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
CA9 Q16790 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ENPP2 Q13822 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
SCHEMBL9330764 0.88 ENPP2 (0.44) MEN1KMT2ATP53THRBCTRC
SCHEMBL10463381 0.84 CNR2 (0.45) CNR2MEN1KMT2ASMPD1KDM4E
SCHEMBL10463550 0.81 CNR2 (0.42) CNR2SMPD1KDM4EALDH1A1HPGD
SCHEMBL10463989 0.81 ALDH1A1 (0.50) MEN1KMT2AESR1KDM4EALDH1A1
SCHEMBL10463383 0.80 USP2 (0.42) MEN1KMT2ATP53ESR1KDM4E
SCHEMBL9333425 0.80 KMT2A (0.42) CNR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL10463272 0.80 ALDH1A1 (0.49) CNR2MEN1KMT2AESR1KDM4E
SCHEMBL10462369 0.79 USP2 (0.41) MEN1KMT2ATP53ESR1KDM4E
SCHEMBL122379 0.77 KMT2A (0.49) CNR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL10599832 0.77 VDR (0.47) CNR2MEN1KMT2AKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4964896-A GAMETOCIDES MONSANTO COMPANY (US) 1990-10-23 US disclosed
US-4936904-A Aryl-4-oxonicotinates useful for inducing male sterility in cereal grain plants MONSANTO TECHNOLOGY LLC 1990-06-26 US disclosed
US-4714492-A HYBRIDIZATION AGENTS ROHM AND HAAS COMPANY (US) 1987-12-22 US disclosed