SCHEMBL4404176

SCHEMBL4404176

CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC2)CC1.CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.81
RECQL P46063 1/20 0.68
HSD17B10 Q99714 1/20 0.65
EPHX1 P07099 1/20 0.49
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
PREP P48147 2/20 0.47
GPR119 Q8TDV5 1/20 0.46
LMNA P02545 1/20 0.45
STS P08842 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 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
SCHEMBL3919189 0.95 HPGD (0.77) HPGDRECQLHSD17B10EPHX1PTPN2
SCHEMBL493585 0.94 HPGD (0.91) HPGDRECQLHSD17B10EPHX1PTPN2
SCHEMBL6544206 0.91 HPGD (0.97) HPGDRECQLHSD17B10EPHX1PTPN2
SCHEMBL3164197 0.89 HPGD (1.00) HPGDRECQLHSD17B10EPHX1PTPN2
SCHEMBL5425897 0.89 HPGD (0.68) HPGDRECQLHSD17B10EPHX1PTPN2
SCHEMBL43357 0.89 HPGD (0.66) HPGDRECQLHSD17B10EPHX1PTPN2
SCHEMBL31169952 0.88 HPGD (0.70) HPGDRECQLHSD17B10EPHX1PTPN2
SCHEMBL26125044 0.88 HPGD (0.79) HPGDRECQLHSD17B10EPHX1PREP
SCHEMBL1158811 0.86 HPGD (0.77) HPGDRECQLHSD17B10EPHX1PREP
SCHEMBL27145831 0.86 HPGD (0.64) HPGDRECQLHSD17B10EPHX1PTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024354-A1 1- [ (4- [BENZOYL (METHYL) AMINO]-3- (PHENYL) BUTYL]AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 Albireo AB (SE) 2009-02-18 EP disclosed
WO-2007136324-A1 1- [ (4- [BENZOYL (METHYL) AMINO] -3- (PHENYL) BUTYL] AZETIDINE DERIVATIVES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS 1 ALBIREO AB (SE) 2007-11-29 WO disclosed