SCHEMBL3693703

SCHEMBL3693703

CCC(CC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.78
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
NPC1 O15118 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
CYP1A2 P05177 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
CES1 P23141 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL25645644 0.87 TSHR (0.63) TSHRKMT2AMEN1NPC1SMN1; SMN2
Potassium Ion SCHEMBL8104536 0.84 TSHR (0.59) TSHRKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL4686902 0.84 TSHR (0.55) TSHRKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL28458528 0.84 TSHR (0.59) TSHRKMT2AMEN1NPC1SMN1; SMN2
Lithium Ion SCHEMBL8120162 0.84 TSHR (0.59) TSHRKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL10607548 0.82 TSHR (0.68) TSHRKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL9615248 0.81 TSHR (0.72) TSHRKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL11473827 0.81 TSHR (0.72) TSHRKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL755941 0.80 TSHR (0.59) TSHRKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL9281988 0.80 TSHR (0.64) TSHRKMT2AMEN1NPC1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642073-B2 Using mixture comprising modified alcohol dehydrogenase, ammonia, nicotinamide and 2-ketoacid to generate preferential amino acids CODEXIS, INC. (US) 2010-01-05 US disclosed
US-20080076162-A1 Using mixture comprising modified alcohol dehydrogenase, ammonia, nicotinamide and 2-ketoacid to generate preferential amino acids BIOCATALYTICS, INC. 2008-03-27 US disclosed
US-7202070-B2 Generating phenylalanine and leucine using mutant enzymatic polypeptide; generate mutant enzyme, aminate ketoacid, recover amino acids BIOCATALYTICS, INC. (US) 2007-04-10 US disclosed
EP-1369410-A1 Process for the stereoselective reduction of derivatives of 4-aryl-4-oxobutyric acid BAYER AG (DE) 2003-12-10 EP disclosed
US-20020061564-A1 Generating phenylalanine and leucine using mutant enzymatic polypeptide; generate mutant enzyme, aminate ketoacid, recover amino acids CODEXIS, INC. 2002-05-23 US disclosed
WO-2002036742-A2 METHOD FOR CHEMICAL TRANSFORMATION USING A MUTATED ENZYME BIOCATALYTICS, INC. (US) 2002-05-10 WO disclosed
US-6126855-A Reaction products of lyotropic liquid crystal salt complexes ELLIOTT STANLEY B (US) 2000-10-03 US disclosed
US-5833877-A DIAGMAGNETIC COMPLEX; SUPERCONDUCTORS ELLIOTT STANLEY B (US) 1998-11-10 US disclosed
US-5595683-A COMPLEX OF METAL SALT OF BENZOYLPROPIONIC ACID, LATTICE MODIFIER, CYCLIZATION, HUMIDITY SENSORS ELLIOTT STANLEY B (US) 1997-01-21 US disclosed
US-5443753-A Reaction products of lyotropic liquid crystal salt complexes ELLIOTT STANLEY B (US) 1995-08-22 US disclosed
US-5354499-A Reaction products of lyotropic liquid crystal salt complexes ELLIOTT STANLEY B (US) 1994-10-11 US disclosed
US-5354496-A Lyotropic liquid crystal salt/inorganic compound complexation products ELLIOTT STANLEY B (US) 1994-10-11 US disclosed
US-5082588-A Hygrometers ELLIOTT STANLEY B (US) 1992-01-21 US disclosed
US-4975249-A Optical and capacitance type, phase transition, humidity-responsive devices ELLIOTT STANLEY B (US) 1990-12-04 US disclosed