SCHEMBL9516776

SCHEMBL9516776

CC(/C=C/C1CC1c1cc(Cl)c(Cl)c(Cl)c1)=C\C(=O)NCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.40
HPGD P15428 3/20 0.34
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
EPHX2 P34913 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX12 P18054 1/20 0.30
RXRA P19793 2/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30

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
SCHEMBL9516782 1.00 CETP (0.40) CETPHPGDTSHRHTTHSD17B10
SCHEMBL9517809 1.00 CETP (0.40) CETPHPGDTSHRHTTHSD17B10
SCHEMBL9516611 0.91 CETP (0.38) CETPHPGDTSHRHTTHSD17B10
SCHEMBL9515647 0.91 CETP (0.38) CETPHPGDTSHRHTTHSD17B10
SCHEMBL9515643 0.91 CETP (0.38) CETPHPGDTSHRHTTHSD17B10
SCHEMBL9517683 0.88 CETP (0.39) CETPHPGDTSHRHTTHSD17B10
SCHEMBL9580369 0.88 CETP (0.39) CETPHPGDTSHRHTTHSD17B10
SCHEMBL9517689 0.88 CETP (0.39) CETPHPGDTSHRHTTHSD17B10
SCHEMBL9516919 0.86 CETP (0.36) CETPHPGDTSHRHTTHSD17B10
SCHEMBL9516914 0.86 CETP (0.36) CETPHPGDTSHRHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP claimed
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US claimed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP claimed
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