SCHEMBL8303781

SCHEMBL8303781

O=C(Cl)c1ccc(OCc2ccc(C(F)(F)F)cc2)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 16/20 0.61
RXRA P19793 2/20 0.58
RXRB P28702 2/20 0.58
RXRG P48443 2/20 0.58
PPARD Q03181 1/20 0.58
NPC1 O15118 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL22386763 0.85 MRGPRX4 (0.58) MRGPRX4RXRARXRBRXRGNPC1
SCHEMBL8299044 0.85 MRGPRX4 (0.58) MRGPRX4RXRARXRBRXRGPPARD
SCHEMBL8756076 0.82 MRGPRX4 (0.61) MRGPRX4RXRARXRBRXRGNPC1
SCHEMBL1015949 0.80 MEN1 (0.52) MRGPRX4
SCHEMBL22481173 0.79 MRGPRX4 (0.80) MRGPRX4
SCHEMBL27621219 0.79 PPARD (0.57) MRGPRX4PPARD
SCHEMBL23496281 0.77 MRGPRX4 (0.54) MRGPRX4PPARD
SCHEMBL22480799 0.77 MRGPRX4 (1.00) MRGPRX4
SCHEMBL22480798 0.77 MRGPRX4 (1.00) MRGPRX4
SCHEMBL694256 0.76 MRGPRX4 (0.64) MRGPRX4RXRARXRBRXRGNPC1

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
CN-1058963-C Triazole derivative, insecticidal/acaricidal agent, and process for producing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 2000-11-29 CN disclosed
EP-0648752-B1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-10-06 EP disclosed
US-5700824-A Triazole derivatives, insecticide, acaricide and methods thereof KUMIAI CHEMICAL INDUSTRIAL CO. LTD. (JP) 1997-12-23 US disclosed
US-5616594-A Triazole derivatives, insecticide, acaricide and methods thereof IHARA CHEMICAL INDUSTRY CO. LTD. (JP) 1997-04-01 US disclosed
EP-0648752-A1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed