SCHEMBL9518904

SCHEMBL9518904

C/C(C=CC1CC1c1ccc(Cl)c(Br)c1)=C\C(=O)NCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.36
HPGD P15428 5/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 2/20 0.34
RXRA P19793 4/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
TRPV1 Q8NER1 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 2/20 0.31
CNR2 P34972 2/20 0.31
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30
CNR1 P21554 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
IDO1 P14902 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
SCHEMBL9518906 1.00 CETP (0.36) CETPHPGDTSHRHTTHSD17B10
SCHEMBL9516914 0.92 CETP (0.36) CETPHPGDTSHRHTTHSD17B10
SCHEMBL9516919 0.92 CETP (0.36) CETPHPGDTSHRHTTHSD17B10
SCHEMBL9519022 0.92 CETP (0.36) CETPHPGDTSHRHTTHSD17B10
SCHEMBL9514986 0.92 CETP (0.40) CETPHPGDHTTKDM4ERXRA
SCHEMBL9430474 0.92 CETP (0.40) CETPHPGDHTTKDM4ERXRA
SCHEMBL9516760 0.92 CETP (0.40) CETPHPGDHTTKDM4ERXRA
SCHEMBL9431554 0.92 CETP (0.40) CETPHPGDHTTKDM4ERXRA
SCHEMBL9567125 0.92 CETP (0.40) CETPHPGDHTTKDM4ERXRA
SCHEMBL9514995 0.92 CETP (0.40) CETPHPGDHTTKDM4ERXRA

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