SCHEMBL9561097

SCHEMBL9561097

OC(COCc1cccc(Oc2ccccc2)c1)(c1ccc(C(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.44
CETP P11597 6/20 0.44
MRGPRX4 Q96LA9 2/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LTA4H P09960 1/20 0.40
EPHX2 P34913 1/20 0.40
TACR1 P25103 1/20 0.40
NR4A2 P43354 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
FDFT1 P37268 1/20 0.39

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
SCHEMBL9560435 0.91 FFAR1 (0.45) MAPK14CETPFFAR1FFAR4
SCHEMBL9560466 0.90 ALDH1A1 (0.48) MAPK14CETPLTA4HFFAR1FFAR4
SCHEMBL9560889 0.90 MAPK14 (0.49) MAPK14CETPMRGPRX4LTA4HEPHX2
SCHEMBL9560674 0.89 CETP (0.39) MAPK14CETPFFAR1FFAR4
SCHEMBL9560412 0.88 LTA4H (0.46) MAPK14CETPMRGPRX4LTA4HFFAR1
SCHEMBL9560662 0.85 CETP (0.43) MAPK14CETPMRGPRX4MEN1KMT2A
SCHEMBL9560585 0.84 MAPK14 (0.39) MAPK14MRGPRX4MEN1KMT2ALTA4H
SCHEMBL9558335 0.84 TACR1 (0.48) MAPK14CETPMRGPRX4MEN1KMT2A
SCHEMBL9561335 0.82 CETP (0.41) CETPFFAR1FFAR4
SCHEMBL9561343 0.82 CETP (0.41) CETPFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
US-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US disclosed
EP-0211561-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP disclosed