SCHEMBL9804240

SCHEMBL9804240

CC1Oc2ccc(C(=O)C(F)(F)F)cc2O1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CES1 P23141 1/20 0.40
MLYCD O95822 9/20 0.39
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7171872 0.79 KDM4E (0.50) CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL3771417 0.79 TDP1 (0.56) CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL8571428 0.77 TSHR (0.53) CYP1A2CYP2C9CYP2C19TDP1
SCHEMBL8573729 0.75 HDAC8 (0.44) CYP1A2CYP2C9CYP2C19
SCHEMBL9804236 0.73 ACHE (0.49) ACHECYP1A2CYP2C9CYP2C19CES1
SCHEMBL9000245 0.72 ALDH1A1 (0.62) CYP1A2CYP2C9CYP2C19
SCHEMBL8893799 0.72 TSHR (0.61)
SCHEMBL30539184 0.72 ALDH1A1 (0.62) CYP1A2CYP2C9CYP2C19
SCHEMBL5806651 0.69 HPGD (0.62) CYP1A2CYP2C9CYP2C19
SCHEMBL5806652 0.69 HPGD (0.62) CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240121-B1 DIPHENYL ETHER DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-17 EP disclosed
US-4791139-A Diphenyl ether derivatives and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US disclosed