SCHEMBL9560792

SCHEMBL9560792

CCOc1ccc(C(COCc2cccc(-c3ccccc3)c2C)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 18/20 0.43
PDCD1 Q15116 1/20 0.40
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL9560404 0.78 CD274 (0.43) CD274PDCD1FFAR1FFAR4
SCHEMBL9560670 0.77 CD274 (0.41) CD274PDCD1FFAR1FFAR4
SCHEMBL10755060 0.77 CD274 (0.41) CD274PDCD1
SCHEMBL9560876 0.77 CD274 (0.41) CD274PDCD1FFAR1FFAR4
SCHEMBL4332048 0.75 NQO1 (0.50)
SCHEMBL4332044 0.75 NQO1 (0.50)
SCHEMBL9560815 0.74 MRGPRX4 (0.41) FFAR1
SCHEMBL409247 0.73 FFAR1 (0.51) FFAR1FFAR4
SCHEMBL9561406 0.73 FFAR1 (0.51) FFAR1FFAR4
SCHEMBL9560441 0.73 NQO1 (0.36) FFAR1

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