SCHEMBL4742580

SCHEMBL4742580

O=C(O)c1cccc(Oc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.70
NPC1 O15118 1/20 0.66
POLB P06746 1/20 0.66
CYP2C9 P11712 1/20 0.66
RAB9A P51151 1/20 0.66
MRGPRX4 Q96LA9 2/20 0.62
KMO O15229 1/20 0.59
KDM4E B2RXH2 1/20 0.58
NR4A2 P43354 1/20 0.57
NR1H4 Q96RI1 1/20 0.54
MAPK14 Q16539 2/20 0.53
TNKS O95271 1/20 0.51
PARP15 Q460N3 1/20 0.51
PARP14 Q460N5 1/20 0.51
PARP10 Q53GL7 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
PPARA Q07869 1/20 0.51
PPARG P37231 2/20 0.51
MAOB P27338 1/20 0.50

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
SCHEMBL4256156 0.89 EPHX2 (0.61) AKR1C3NPC1POLBCYP2C9RAB9A
SCHEMBL5552784 0.89 AKR1C3 (0.67) AKR1C3NPC1POLBCYP2C9RAB9A
SCHEMBL1636273 0.88 AKR1C3 (0.66) AKR1C3NPC1POLBCYP2C9RAB9A
SCHEMBL30241132 0.88 AKR1C3 (0.66) AKR1C3NPC1POLBCYP2C9RAB9A
SCHEMBL30266789 0.87 AKR1C3 (0.92) AKR1C3NPC1POLBCYP2C9RAB9A
SCHEMBL1042631 0.87 AKR1C3 (0.92) AKR1C3NPC1POLBCYP2C9RAB9A
SCHEMBL16429183 0.85 AKR1C3 (0.62) AKR1C3NPC1POLBCYP2C9RAB9A
SCHEMBL3507467 0.85 MRGPRX4 (0.60) AKR1C3NPC1POLBCYP2C9RAB9A
SCHEMBL4320685 0.85 AKR1C3 (0.96) AKR1C3NPC1POLBCYP2C9RAB9A
SCHEMBL29546656 0.85 AKR1C3 (0.96) AKR1C3NPC1POLBCYP2C9RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016183173-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions (US) 2016-11-17 WO disclosed
WO-2016183173-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions (US) 2016-11-17 WO disclosed
WO-2008090357-A2 N, N; -SUBSTITUTED PIPERAZINES BINDING TO MELANOCORTIN RECEPTOR PALATIN TECHNOLOGIES, INC. (US) 2008-07-31 WO disclosed
US-4778914-A FOR HALOGENATED DIPHENYL ETHER HERBICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-18 US disclosed
US-4388472-A Substituted diphenyl ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-06-14 US disclosed
EP-0023100-B1 HERBICIDAL COMPOSITIONS COMPRISING A DIPHENYL ETHER COMPOUND IN ADMIXTURE WITH ANOTHER HERBICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-10 EP disclosed
EP-0003416-B1 DIPHENYL ETHER COMPOUNDS USEFUL AS HERBICIDES; METHODS OF USING THEM, PROCESSES FOR PREPARING THEM, AND HERBICIDAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-08-26 EP disclosed
US-4285723-A DERIVATIVES OF 3-PHENOXY-SULFONYLBENZAMIDE; NONPHYTOTOXIC PRE- AND POSTEMERGENCE HERBICIDES; CROPS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-08-25 US disclosed
EP-0023100-A1 Herbicidal compositions comprising a diphenyl ether compound in admixture with another herbicide IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-28 EP disclosed
EP-0003416-A1 Diphenyl ether compounds useful as herbicides; methods of using them, processes for preparing them, and herbicidal compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-08-08 EP disclosed