SCHEMBL9804262

SCHEMBL9804262

CC(C)(C)c1ccc(C(=CCCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
MAPK14 Q16539 3/20 0.41
FDFT1 P37268 2/20 0.41
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 2/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
CETP P11597 3/20 0.37
FABP1 P07148 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
CYP2C9 P11712 1/20 0.37
F10 P00742 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37

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
SCHEMBL9804257 1.00 FAAH (0.41) FAAHMAPK14FDFT1NPC1RAB9A
SCHEMBL9804470 0.91 MAPK14 (0.47) MAPK14FDFT1PPARGPPARDPPARA
SCHEMBL9804475 0.91 MAPK14 (0.47) MAPK14FDFT1PPARGPPARDPPARA
SCHEMBL7932271 0.90 AKR1C3 (0.42) MAPK14FDFT1CETP
SCHEMBL7932267 0.90 AKR1C3 (0.42) MAPK14FDFT1CETP
SCHEMBL9804325 0.88 KDM4E (0.48) FAAHMAPK14NPC1RAB9ACETP
SCHEMBL9804320 0.88 KDM4E (0.48) FAAHMAPK14NPC1RAB9ACETP
SCHEMBL9804383 0.87 CETP (0.41) MAPK14FDFT1CETPMEN1KMT2A
SCHEMBL9804381 0.87 CETP (0.41) MAPK14FDFT1CETPMEN1KMT2A
SCHEMBL9804377 0.86 PPARD (0.44) MAPK14FDFT1PPARDCETP

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