SCHEMBL638877

SCHEMBL638877

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CCl

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.68
CTSS P25774 6/20 0.64
CTSK P43235 5/20 0.64
CTSB P07858 2/20 0.64
CTSL P07711 2/20 0.64
AKT1 P31749 1/20 0.58
ATM Q13315 1/20 0.56
CTSG P08311 1/20 0.54
CMA1 P23946 1/20 0.54
CA2 P00918 1/20 0.54
KLK5 Q9Y337 1/20 0.54
REN P00797 1/20 0.53
PPARA Q07869 2/20 0.53
PPARG P37231 1/20 0.53

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
SCHEMBL495794 1.00 ACE (0.68) ACECTSSCTSKCTSBCTSL
SCHEMBL495795 1.00 ACE (0.68) ACECTSSCTSKCTSBCTSL
SCHEMBL17350165 0.96 ACE (0.64) ACECTSSCTSKCTSBCTSL
SCHEMBL7450821 0.94 ACE (0.61) ACECTSSCTSKCTSBCTSL
SCHEMBL13537626 0.90 BCL2 (0.62) ACECTSSCTSKCTSBCTSL
SCHEMBL9754444 0.89 REN (0.57) ACECTSSCTSKCTSBCTSL
SCHEMBL13086723 0.88 ACE (0.55) ACECTSSCTSKCTSBCTSL
SCHEMBL6516027 0.88 ACE (0.70) ACECTSSCTSKCTSBCTSL
SCHEMBL2603668 0.88 ACE (0.70) ACECTSSCTSKCTSBCTSL
SCHEMBL17688687 0.88 ACE (0.70) ACECTSSCTSKCTSBCTSL

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 197 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111705043-B Ketoreductase mutant with improved catalytic activity and application thereof 南京朗恩生物科技有限公司 2022-03-04 CN claimed
CN-111662889-B Ketoreductase mutant for producing darunavir intermediate 南京朗恩生物科技有限公司 2022-03-04 CN claimed
CN-111690696-B Method for preparing darunavir intermediate through biocatalysis 南京朗恩生物科技有限公司 2021-12-31 CN claimed
EP-3409765-B1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS INC (US) 2021-08-04 EP claimed
EP-3409765-A2 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS Codexis, Inc. (US) 2018-12-05 EP claimed
EP-2446025-B1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS INC (US) 2018-08-08 EP claimed
US-9404092-B2 Ketoreductase-mediated stereoselective route to alpha chloroalcohols CODEXIS, INC. (US) 2016-08-02 US claimed
US-20160160187-A1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2016-06-09 US claimed
US-9029112-B2 Ketoreductase-mediated stereoselective route to alpha chloroalcohols CODEXIS, INC. (US) 2015-05-12 US claimed
US-20140308732-A1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2014-10-16 US claimed
WO-2006127180-A1 A PROCESS FOR PREPARING (2R,3S)-1,2-EPOXY-3-(PROTECTED)AMINO-4-SUBSTITUTED BUTANE AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 WO claimed
CN-1128135-C Process for reducing alpha-aminoketones KANEKA CORP (JP) 2003-11-19 CN claimed
EP-0969000-B1 Process for reducing alpha-amino ketones KANEKA CORP (JP) 2002-12-04 EP claimed
EP-0779366-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 1-HALO-3-AMINO-4-PHENYL-2-BUTANOL DERIVATIVES KANEKA CORP (JP) 2002-04-03 EP claimed
US-6255522-B1 USING AS REDUCING AGENT A REACTION PRODUCT OF ORGANOALUMINUM COMPOUND, SULFONATE AND ALCOHOL KANEKA CORPORATION (JP) 2001-07-03 US claimed
EP-0969000-A1 PROCESS FOR REDUCING $G(a)-AMINO KETONES KANEKA CORPORATION (JP) 2000-01-05 EP claimed
CN-1228081-A Process for reducing alpha-aminoketones KANEKA CORP (JP) 1999-09-08 CN claimed
CN-1178517-A Process for reduction of carbonyl compounds KANEKA CORP (JP) 1998-04-08 CN claimed
US-5726047-A Process for stereoselectively reducing 1-halo-3-amino-4-phenyl-2-butanone to the corresponding alcohol with microorganisms KANEKA CORPORATION (JP) 1998-03-10 US claimed
EP-0779366-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 1-HALO-3-AMINO-4-PHENYL-2-BUTANOL DERIVATIVES KANEKA CORPORATION (JP) 1997-06-18 EP claimed