SCHEMBL9580461

SCHEMBL9580461

CC(C)CNC(=O)/C=C/C=C[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
TRPM5 Q9NZQ8 1/20 0.37
CETP P11597 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
MITF O75030 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CNR2 P34972 4/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36

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
SCHEMBL9516969 1.00 TRPV1 (0.39) TRPV1HTR2AHTR2CHTR2BCACNA1B
SCHEMBL9516964 1.00 TRPV1 (0.39) TRPV1HTR2AHTR2CHTR2BCACNA1B
SCHEMBL9516957 1.00 TRPV1 (0.39) TRPV1HTR2AHTR2CHTR2BCACNA1B
SCHEMBL9580537 0.85 NPSR1 (0.38) HTR2AHTR2CHTR2BCACNA1FCACNA1D
SCHEMBL9580409 0.80 HPGD (0.44) TRPV1CETPCNR2PPARGPPARD
SCHEMBL9580563 0.80 HPGD (0.44) TRPV1CETPCNR2PPARGPPARD
SCHEMBL9580418 0.80 HPGD (0.44) TRPV1CETPCNR2PPARGPPARD
SCHEMBL9580565 0.80 HPGD (0.44) TRPV1CETPCNR2PPARGPPARD
SCHEMBL9580554 0.78 ALDH1A1 (0.41) HTR2AHTR2CHTR2BCACNA1FCACNA1D
SCHEMBL9516614 0.77 NPSR1 (0.40) HTR2AHTR2CHTR2BCACNA1FCACNA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US disclosed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP disclosed