SCHEMBL9517683

SCHEMBL9517683

CC(C=C[C@@H]1C[C@H]1c1cc(Cl)nc(Cl)c1)=CC(=O)NCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.39
TRPV1 Q8NER1 2/20 0.31
EPHX2 P34913 1/20 0.31
HPGD P15428 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9580369 1.00 CETP (0.39) CETPTRPV1EPHX2HPGDSMN1; SMN2
SCHEMBL9517689 1.00 CETP (0.39) CETPTRPV1EPHX2HPGDSMN1; SMN2
SCHEMBL9516776 0.88 CETP (0.40) CETPTRPV1EPHX2HPGDSMN1; SMN2
SCHEMBL9517809 0.88 CETP (0.40) CETPTRPV1EPHX2HPGDSMN1; SMN2
SCHEMBL9516782 0.88 CETP (0.40) CETPTRPV1EPHX2HPGDSMN1; SMN2
SCHEMBL9515643 0.86 CETP (0.38) CETPTRPV1EPHX2HPGDSMN1; SMN2
SCHEMBL9515647 0.86 CETP (0.38) CETPTRPV1EPHX2HPGDSMN1; SMN2
SCHEMBL9516611 0.86 CETP (0.38) CETPTRPV1EPHX2HPGDSMN1; SMN2
SCHEMBL9518904 0.81 CETP (0.36) CETPTRPV1HPGDSMN1; SMN2TSHR
SCHEMBL9516919 0.81 CETP (0.36) CETPTRPV1HPGDSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed
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