SCHEMBL9515734

SCHEMBL9515734

CC(/C=C/C1(F)CC1c1ccc(Br)c(Br)c1)=C\C(=O)NCC(C)C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.31
RXRA P19793 2/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
TRPV1 Q8NER1 2/20 0.31
EPHX2 P34913 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR2 P34972 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
SCHEMBL9430436 0.87 RXRA (0.32) RXRARARBRARG
SCHEMBL9430503 0.87 RXRA (0.32) RXRARARBRARG
SCHEMBL9429915 0.87 RXRA (0.32) RXRARARBRARG
SCHEMBL9515305 0.87 RXRA (0.32) RXRARARBRARG
SCHEMBL9515299 0.86 HPGD (0.40) HRH3RXRARARBRARGTRPV1
SCHEMBL8967692 0.83 HRH3 (0.31) HRH3
SCHEMBL9516830 0.82 EPHX2 (0.34) TRPV1EPHX2HPGD
SCHEMBL9191175 0.81 KCNJ6 (0.35) RXRARARBRARGHPGDSMN1; SMN2
SCHEMBL9193857 0.79 HCRTR1 (0.37)
SCHEMBL9194001 0.79 MMP1 (0.36) HPGDSMN1; SMN2

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