SCHEMBL9392071

SCHEMBL9392071

CC(C)(S)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.69
▸ HSD17B10 Q99714 2/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ ACE P12821 8/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ F2 P00734 1/20 0.51
▸ REN P00797 1/20 0.51
▸ LTA4H P09960 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ PEPD P12955 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ HRH1 P35367 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ ACE2 Q9BYF1 1/20 0.51

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
SCHEMBL7321336 1.00 LMNA (0.69) LMNAHSD17B10CYP2C19ACEKDM4E
SCHEMBL9392063 1.00 LMNA (0.69) LMNAHSD17B10CYP2C19ACEKDM4E
SCHEMBL3189885 0.85 LMNA (0.68) LMNAHSD17B10CYP2C19ACEKDM4E
SCHEMBL2636385 0.85 LMNA (0.68) LMNAHSD17B10CYP2C19ACEKDM4E
SCHEMBL11993551 0.85 LMNA (0.68) LMNAHSD17B10CYP2C19ACEKDM4E
SCHEMBL31732283 0.82 LMNA (0.64) LMNAHSD17B10CYP2C19ACEKDM4E
SCHEMBL29876707 0.82 LMNA (0.64) LMNAHSD17B10CYP2C19ACEKDM4E
SCHEMBL9162445 0.82 LMNA (0.64) LMNAHSD17B10CYP2C19ACEKDM4E
SCHEMBL9162833 0.82 LMNA (0.64) LMNAHSD17B10CYP2C19ACEKDM4E
SCHEMBL7253714 0.81 LMNA (0.62) LMNAHSD17B10CYP2C19ACEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311362-A1 Improvements in or relating to pharmaceutical preparations for treating hypertension MARION LABORATORIES, INC. (a Delaware corporation) (US) 1989-04-12 — — EP claimed
EP-0038541-B1 NOVEL PRODRUGS OF BIOLOGICALLY ACTIVE AGENTS CONTAINING MERCAPTO GROUPS, PROCESS FOR PREPARING AND THERAPEUTICALLY EFFECTIVE COMPOSITION CONTAINING THE SAME MERCK & CO. INC. (US) 1986-08-13 — — EP claimed
JP-6032776-A — — None — — JP disclosed
JP-H0632776-A METHOD FOR PREVENTING OXIDATION OF N-@(3754/24)D-ALPHA--METHYL-BETA-MERCAPTOPROPIONYL)-L-PROLINE MITSUBISHI RAYON CO LTD 1994-02-08 — — JP disclosed
Send feedback