SCHEMBL9580418

SCHEMBL9580418

CC(C)CNC(=O)C=CC=C[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
CETP P11597 1/20 0.40
CNR2 P34972 5/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
CNR1 P21554 2/20 0.39
SLC6A3 Q01959 5/20 0.39
SLC6A4 P31645 4/20 0.39
SOAT1 P35610 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FAAH O00519 1/20 0.38
SLC6A2 P23975 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
SCHEMBL9580565 1.00 HPGD (0.44) HPGDTRPV1CETPCNR2PPARG
SCHEMBL9580409 1.00 HPGD (0.44) HPGDTRPV1CETPCNR2PPARG
SCHEMBL9580563 1.00 HPGD (0.44) HPGDTRPV1CETPCNR2PPARG
SCHEMBL9516724 0.87 HPGD (0.39) HPGDSLC6A3SLC6A4TSHRHTT
SCHEMBL9516730 0.87 HPGD (0.39) HPGDSLC6A3SLC6A4TSHRHTT
SCHEMBL9580558 0.87 HPGD (0.39) HPGDSLC6A3SLC6A4TSHRHTT
SCHEMBL9580562 0.83 NOS3 (0.39) SLC6A3SLC6A4SLC6A2
SCHEMBL9580559 0.83 NOS3 (0.39) SLC6A3SLC6A4SLC6A2
SCHEMBL9580561 0.83 NOS3 (0.39) SLC6A3SLC6A4SLC6A2
SCHEMBL9516957 0.80 TRPV1 (0.39) HPGDTRPV1CETPCNR2PPARG

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