SCHEMBL9162833

SCHEMBL9162833

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.64
▸ HSD17B10 Q99714 2/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ ACE P12821 10/20 0.50
▸ REN P00797 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ F2 P00734 1/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PEPD P12955 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL9162445 1.00 LMNA (0.64) LMNAHSD17B10CYP2C19ACEREN
SCHEMBL2636385 0.85 LMNA (0.68) LMNAHSD17B10CYP2C19ACEREN
SCHEMBL3189885 0.85 LMNA (0.68) LMNAHSD17B10CYP2C19ACEREN
SCHEMBL11993551 0.85 LMNA (0.68) LMNAHSD17B10CYP2C19ACEREN
SCHEMBL31732283 0.82 LMNA (0.64) LMNAHSD17B10CYP2C19ACEREN
SCHEMBL29876707 0.82 LMNA (0.64) LMNAHSD17B10CYP2C19ACEREN
SCHEMBL9392063 0.82 LMNA (0.69) LMNAHSD17B10CYP2C19ACEREN
SCHEMBL7321336 0.82 LMNA (0.69) LMNAHSD17B10CYP2C19ACEREN
SCHEMBL9392071 0.82 LMNA (0.69) LMNAHSD17B10CYP2C19ACEREN
SCHEMBL24339739 0.80 LMNA (0.61) LMNAHSD17B10CYP2C19ACEREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5424454-A 2,2,-dichloropropionyl-L-proline CELGENE CORPORATION (US) 1995-06-13 — — US disclosed
WO-1994026771-A1 PROCESS FOR THE STEREOSELECTIVE PREPARATION OF L-ALANYL-L-PROLINE CELGENE CORPORATION (US) 1994-11-24 — — WO disclosed
US-5319098-A Hydrogenating an N-(1-iminoethylcarbonyl)proline using a metal hydrogenolysis catalyst and a pH of less than 4 CELGENE CORPORATION (US) 1994-06-07 — — US disclosed
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