SCHEMBL10463513

SCHEMBL10463513

CCCc1c(C(=O)O)c(=O)cc(-c2ccc(Cl)cc2)n1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 11/20 0.42
CNR2 P34972 2/20 0.41
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
CTRC Q99895 1/20 0.38
SMPD1 P17405 1/20 0.37
CHRNA7 P36544 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
SCHEMBL10462787 0.99 OXER1 (0.42) OXER1CNR2GRIA2GRIA4HPGD
SCHEMBL10462903 0.88 OXER1 (0.38) OXER1CNR2GRIA2GRIA4
SCHEMBL10463651 0.88 HPGD (0.49) OXER1CNR2HPGDKDM4EALDH1A1
SCHEMBL10462785 0.88 CNR2 (0.39) OXER1CNR2HPGDKDM4EALDH1A1
SCHEMBL10462930 0.87 HPGD (0.48) OXER1CNR2HPGDKDM4EALDH1A1
Hydrochloric Acid SCHEMBL10462736 0.84 CHRNA7 (0.45) HPGDKDM4EALDH1A1CHRNA7
SCHEMBL10463604 0.80 MAP4K4 (0.43) HPGDKDM4EALDH1A1
SCHEMBL10463383 0.80 USP2 (0.42) HPGDKDM4EALDH1A1CYP2C9
SCHEMBL10462369 0.79 USP2 (0.41) HPGDKDM4EALDH1A1CYP2C9
SCHEMBL10462719 0.79 MAP4K4 (0.42) HPGDKDM4EALDH1A1

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 5 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
EP-0127313-B1 THE PRODUCTION OF HAPLOID SEED, OF DOUBLED HAPLOIDS AND OF HOMOZYGOUS PLANT LINES THEREFROM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1989-07-19 EP disclosed
US-4714492-A HYBRIDIZATION AGENTS ROHM AND HAAS COMPANY (US) 1987-12-22 US disclosed
EP-0127313-A1 The production of haploid seed, of doubled haploids and of homozygous plant lines therefrom CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1984-12-05 EP disclosed