SCHEMBL9330764

SCHEMBL9330764

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.44
ADRA2A P08913 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
CTRC Q99895 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
AHR P35869 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA9 Q16790 1/20 0.38
TYR P14679 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
SCHEMBL9333425 0.93 KMT2A (0.42) ENPP2MEN1KMT2AKDM4EALDH1A1
SCHEMBL10464019 0.88 CNR2 (0.41) ENPP2MEN1KMT2AKDM4EALDH1A1
SCHEMBL122379 0.87 KMT2A (0.49) ENPP2MEN1KMT2AKDM4EALDH1A1
SCHEMBL10463549 0.86 KMT2A (0.48) ENPP2MEN1KMT2AKDM4EALDH1A1
SCHEMBL9331352 0.85 ENPP2 (0.40) ENPP2ADRA2AMEN1KMT2A
SCHEMBL10469560 0.84 AKR1B10 (0.42) MEN1KMT2AHSD17B10NPC1MAPT
SCHEMBL9331069 0.83 CNR2 (0.43) ENPP2ADRA2A
SCHEMBL16594527 0.81 KMT2A (0.44) ENPP2MEN1KMT2AKDM4EALDH1A1
SCHEMBL9331326 0.81 POLB (0.41) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL9331121 0.80 MAPT (0.43) KMT2AKDM4ENPC1MAPTAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0364183-B1 Chemical hybridisation of dicots ZENECA LTD (GB) 1994-03-30 EP disclosed
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-0364183-A2 Chemical hybridisation of dicots ZENECA LIMITED (GB) 1990-04-18 EP disclosed
US-4714492-A HYBRIDIZATION AGENTS ROHM AND HAAS COMPANY (US) 1987-12-22 US disclosed
EP-0040082-B1 NOVEL SUBSTITUTED OXONICOTINATES, THEIR USE AS PLANT GROWTH REGULATORS AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING THEM ROHM AND HAAS COMPANY (US) 1984-04-25 EP disclosed
EP-0040082-A1 Novel substituted oxonicotinates, their use as plant growth regulators and plant growth regulating compositions containing them ROHM AND HAAS COMPANY (US) 1981-11-18 EP disclosed