SCHEMBL9331069

SCHEMBL9331069

CCCCCCn1c(C)cc(=O)c(C(=O)O)c1-c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.43
ENPP2 Q13822 1/20 0.41
DPP4 P27487 1/20 0.40
MDM2 Q00987 2/20 0.40
TLR8 Q9NR97 1/20 0.39
CNR1 P21554 1/20 0.39
OXER1 Q8TDS5 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL9333871 0.91 MDM2 (0.42) DPP4MDM2
SCHEMBL10391992 0.87 RAB9A (0.48) CNR2CNR1
SCHEMBL9330865 0.86 RAB9A (0.46) MDM2
SCHEMBL10392089 0.86 RAB9A (0.48) CNR2CNR1
SCHEMBL9331352 0.84 ENPP2 (0.40) CNR2ENPP2CNR1ADRA2A
SCHEMBL10394552 0.83 MEN1 (0.50) CNR2CNR1
SCHEMBL10392021 0.83 MEN1 (0.52) CNR2CNR1
SCHEMBL9330764 0.83 ENPP2 (0.44) ENPP2ADRA2A
SCHEMBL10392065 0.83 RAB9A (0.49) CNR2
SCHEMBL10393312 0.82 MEN1 (0.52) CNR2CNR1

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