SCHEMBL9804372

SCHEMBL9804372

CCOc1ccc(C(CC(=O)OC)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
ACACB O00763 7/20 0.46
CNR2 P34972 1/20 0.44
LMNA P02545 5/20 0.43
PLK1 P53350 1/20 0.43
ACACA Q13085 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PARP10 Q53GL7 1/20 0.41

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
SCHEMBL3652941 0.81 KCNA5 (0.47) HTTLMNAPOLBMEN1CYP1A2
SCHEMBL15955591 0.79 ALOX15 (0.50) HTTPOLBKMT2AHPGDALDH1A1
SCHEMBL9561666 0.78 NQO1 (0.50) ACACBCNR2LMNAMEN1KMT2A
SCHEMBL10555386 0.78 NQO1 (0.50) ACACBCNR2LMNAMEN1KMT2A
SCHEMBL9560409 0.78 NQO1 (0.50) ACACBCNR2LMNAMEN1KMT2A
SCHEMBL17404832 0.76 KDM4E (0.43) HTTLMNAPOLBMEN1KMT2A
SCHEMBL27598638 0.75 ACACB (0.48) HTTACACBCNR2LMNAPLK1
SCHEMBL7922514 0.74 NQO1 (0.50) ACACBCNR2LMNAMEN1KMT2A
SCHEMBL4332048 0.74 NQO1 (0.50) ACACBCNR2LMNAMEN1KMT2A
SCHEMBL4332044 0.74 NQO1 (0.50) ACACBCNR2LMNAMEN1KMT2A

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
EP-0240121-B1 DIPHENYL ETHER DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-17 EP disclosed
EP-0390228-A2 Chemical intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-03 EP disclosed
US-4791139-A Diphenyl ether derivatives and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US disclosed
EP-0240121-A2 Diphenyl ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-07 EP disclosed