SCHEMBL9560901

SCHEMBL9560901

Fc1ccc(COC=C(c2ccc(OC(F)(F)F)cc2)C(F)(F)F)cc1Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
LPAR1 Q92633 4/20 0.37
LPAR5 Q9H1C0 4/20 0.37
CETP P11597 1/20 0.37
GRIN2B Q13224 1/20 0.37
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
SRD5A2 P31213 1/20 0.34

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
SCHEMBL9560896 1.00 MAPK14 (0.39) MAPK14MRGPRX4LTA4HEPHX2LPAR1
SCHEMBL9560573 0.89 L3MBTL1 (0.38) MRGPRX4LPAR1LPAR5SRD5A2
SCHEMBL9560570 0.89 L3MBTL1 (0.38) MRGPRX4LPAR1LPAR5SRD5A2
SCHEMBL9561164 0.87 LPAR1 (0.36) LPAR1LPAR5
SCHEMBL9560802 0.87 RAB9A (0.38) MAPK14EPHX2LPAR1LPAR5RXRA
SCHEMBL9561171 0.87 LPAR1 (0.36) LPAR1LPAR5
SCHEMBL9560799 0.87 RAB9A (0.38) MAPK14EPHX2LPAR1LPAR5RXRA
SCHEMBL9560817 0.85 MAPK14 (0.52) MAPK14MRGPRX4LTA4HEPHX2CETP
SCHEMBL9560811 0.85 MAPK14 (0.52) MAPK14MRGPRX4LTA4HEPHX2CETP
SCHEMBL9804279 0.83 LTA4H (0.40) MAPK14LTA4HEPHX2LPAR1LPAR5

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