SCHEMBL3914229

SCHEMBL3914229

NC(=O)Oc1ccc(N2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.51
GSK3B P49841 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 7/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
KMT2A Q03164 2/20 0.45
PRKDC P78527 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44
LIPE Q05469 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
SCHEMBL27922475 0.95 KDM4E (0.52) AKR1C3GSK3BCYP1A2CYP2C9CYP2C19
SCHEMBL8542788 0.86 ALDH1A1 (0.47) CYP1A2CYP2C19MAPTKDM4EALDH1A1
SCHEMBL28096400 0.84 ALDH1A1 (0.50) CYP1A2CYP2C19MAPTKDM4EALDH1A1
SCHEMBL15546841 0.84 KMO (0.57) AKR1C3MAPTKDM4EALDH1A1GAA
SCHEMBL29817601 0.83 LGMN (0.47) AKR1C3GSK3BCYP1A2CYP2C9CYP2C19
SCHEMBL6554169 0.83 ALDH1A1 (0.58) AKR1C3GSK3BCYP1A2CYP2C9CYP2C19
SCHEMBL28923975 0.83 MAPT (0.55) MAPTKDM4EALDH1A1HTTGAA
SCHEMBL19475144 0.82 LMNA (0.54) AKR1C3CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL19475147 0.82 AKR1C3 (0.51) AKR1C3MAPTKDM4EALDH1A1HTT
SCHEMBL20640028 0.81 MAPT (0.50) AKR1C3MAPTALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151260-A Fulvestrant prodrugs 卡希夫生物科学有限公司 2022-10-04 CN disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 EP disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 WO disclosed
EP-0525197-B1 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOGS SHIONOGI & CO (JP) 1997-08-27 EP disclosed
US-5319100-A Antiinflammatory agent which does not cause stomach diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
US-5319099-A Antiinflammatory agent which does not cause stomach diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
EP-0525197-A1 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOG SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-02-03 EP disclosed