SCHEMBL7465019

SCHEMBL7465019

CCCC[C@](N)(CC)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ARG2 P78540 12/20 0.63
ARG1 P05089 11/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
CYP1A2 P05177 1/20 0.63
THRB P10828 1/20 0.63
KMT2A Q03164 1/20 0.63
ODC1 P11926 1/20 0.45
FDPS P14324 3/20 0.43
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39

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
SCHEMBL6666220 1.00 ARG2 (0.63) ARG2ARG1MEN1ALDH1A1CYP1A2
SCHEMBL8842963 0.93 ARG2 (0.67) ARG2ARG1MEN1ALDH1A1CYP1A2
SCHEMBL23829640 0.91 ARG1 (0.65) ARG2ARG1MEN1ALDH1A1CYP1A2
SCHEMBL11629171 0.91 ARG1 (0.65) ARG2ARG1MEN1ALDH1A1CYP1A2
SCHEMBL30549568 0.91 ARG1 (0.65) ARG2ARG1MEN1ALDH1A1CYP1A2
SCHEMBL9273320 0.91 ARG1 (0.65) ARG2ARG1MEN1ALDH1A1CYP1A2
SCHEMBL185635 0.91 ARG1 (0.52) ARG2ARG1MEN1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL8203128 0.90 ARG1 (0.62) ARG2ARG1MEN1ALDH1A1CYP1A2
SCHEMBL6129347 0.86 ARG2 (0.53) ARG2ARG1MEN1ALDH1A1CYP1A2
SCHEMBL23010905 0.86 ARG1 (0.48) ARG2ARG1MEN1ALDH1A1CYP1A2

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
EP-0775126-B1 HYPOLIPIDEMIC 1,4-BENZOTHIAZEPINE-1,1-DIOXIDES WELLCOME FOUND (GB) 2002-10-30 EP disclosed
EP-1203769-A1 Hypolipidemic 1,4-benzothiazepine derivative THE WELLCOME FOUNDATION LIMITED (GB) 2002-05-08 EP disclosed
CN-1059673-C Hypolipidemic 1, 4-benzazepine * -1, 1-dioxides WELLCOME FOUND (GB) 2000-12-20 CN disclosed
US-5910494-A NOVEL COMPOUNDS THAT REDUCE THE ABSORPTION OF BILE ACIDS FROM THE INTESTINE; FOR PROPHYLAXIS AND TREATMENT OF HYPERLIPIDEMIC CONDITIONS, SUCH AS ATHEROSCLEROSIS GLAXO WELLCOME INC. (US) 1999-06-08 US disclosed
EP-0626952-B1 HYPOLIPIDAEMIC BENZOTHIAZEPINE COMPOUNDS WELLCOME FOUND (GB) 1999-04-14 EP disclosed
US-5859240-A REDUCTION OF IMINE GROUP; OXIDATION; SALT FORMATION GLAXO WELLCOME INC. (US) 1999-01-12 US disclosed
CN-1161035-A Hypolipidemic 1,4-benzothiazepine-1,1-dioxides WELLCOME FOUND (GB) 1997-10-01 CN disclosed
US-5663165-A ANTICHOLESTEROL, CARDIOVASCULAR GLAXO WELLCOME INC. (US) 1997-09-02 US disclosed
EP-0626952-A1 HYPOLIPIDAEMIC BENZOTHIAZEPINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1994-12-07 EP disclosed
WO-1993016055-A1 HYPOLIPIDAEMIC BENZOTHIAZEPINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-19 WO disclosed