SCHEMBL1044376

SCHEMBL1044376

CC(C)(C)[C@@H](c1ccccc1)C(NC(=O)O)[C@@H]1CO1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
GAA P10253 1/20 0.40
SLC6A3 Q01959 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RIPK1 Q13546 1/20 0.37
RECQL P46063 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 4/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR1E P28566 1/20 0.34
S1PR3 Q99500 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3743645 1.00 HPGD (0.40) HPGDGAASLC6A3TDP1ALDH1A1
SCHEMBL3103010 1.00 HPGD (0.40) HPGDGAASLC6A3TDP1ALDH1A1
SCHEMBL718202 1.00 HPGD (0.40) HPGDGAASLC6A3TDP1ALDH1A1
SCHEMBL970614 0.88 CYP26A1 (0.37) HPGDGAASLC6A3ALDH1A1
SCHEMBL464738 0.84 ACACB (0.44) LMNAL3MBTL1MAPT
SCHEMBL4891377 0.82 SLC6A3 (0.32) SLC6A3
SCHEMBL2443114 0.82 TDP1 (0.36) HPGDGAASLC6A3TDP1ALDH1A1
SCHEMBL2176858 0.73
SCHEMBL6246290 0.72 SLC6A3 (0.38) SLC6A3ATML3MBTL1SMN1; SMN2NPSR1
SCHEMBL4684382 0.72 HPGD (0.43) HPGDGAASLC6A3ALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296992-B2 Ketoreductase-mediated stereoselective route to alpha chloroalcohols CODEXIS, INC. (US) 2016-03-29 US disclosed
US-20150240217-A1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2015-08-27 US disclosed
US-9029112-B2 Ketoreductase-mediated stereoselective route to alpha chloroalcohols CODEXIS, INC. (US) 2015-05-12 US disclosed
US-20140308732-A1 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2014-10-16 US disclosed
US-8796002-B2 Polypeptides for a ketoreductase-mediated stereoselective route to alpha chloroalcohols CODEXIS, INC. (US) 2014-08-05 US disclosed
WO-2011080562-A1 NOVEL AZA-PEPTIDES CONTAINING 2,2-DISUBSTITUTED CYCLOBUTYL AND/OR SUBSTITUTED ALKOXY BENZYL DERIVATIVES AS ANTIVIRALS HETERO RESEARCH FOUNDATION (IN) 2011-07-07 WO disclosed
WO-2011005527-A2 KETOREDUCTASE-MEDIATED STEREOSELECTIVE ROUTE TO ALPHA CHLOROALCOHOLS CODEXIS, INC. (US) 2011-01-13 WO disclosed