SCHEMBL9248136

SCHEMBL9248136

O=C(c1ccc(OCC(F)(F)F)cc1)c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.49
SRD5A2 P31213 3/20 0.48
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
PAX8 Q06710 1/20 0.47
ALDH1A1 P00352 2/20 0.46
RXRA P19793 1/20 0.46
HNF4A P41235 1/20 0.46
POLB P06746 1/20 0.46
MAOB P27338 2/20 0.45
PPARA Q07869 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL14033159 0.93 GAA (0.60) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL1985055 0.86 L3MBTL1 (0.60) NPC1RAB9ASMN1; SMN2L3MBTL1SRD5A2
Bicarbonate SCHEMBL27771212 0.85 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL2714295 0.85 MAOB (0.62) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL6523003 0.85 MAOB (0.62) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL8553712 0.85 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL9578483 0.83 NPC1 (0.51) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL498377 0.82 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL21434732 0.82 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL10498948 0.82 MAPT (0.66) NPC1RAB9ASMN1; SMN2L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103842355-A Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS INC 2014-06-04 CN claimed
CN-103764646-A Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS INC 2014-04-30 CN claimed
CN-103842355-A Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS INC 2014-06-04 CN disclosed
CN-103764646-A Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS INC 2014-04-30 CN disclosed
US-5382687-A Electrography HITACHI CHEMICAL COMPANY LTD. (JP) 1995-01-17 US disclosed
EP-0448389-B1 Enamine derivatives and their use in electrophotographic member HITACHI CHEMICAL CO LTD (JP) 1994-12-14 EP disclosed
US-5272030-A Electrophotographic member comprising enamine derivatives HITACHI CHEMICAL COMPANY, LTD. (JP) 1993-12-21 US disclosed
EP-0448389-A1 Enamine derivatives and their use in electrophotographic member Hitachi Chemical Co., Ltd. (JP) 1991-09-25 EP disclosed
US-4888340-A Insecticides pyrazolines, compositions and use SCHERING AKTIENGESELLSCHAFT (DE) 1989-12-19 US disclosed