SCHEMBL3695615

SCHEMBL3695615

CCC1(C(=O)O)C(=O)Cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HTR2A P28223 3/20 0.39
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTR2C P28335 2/20 0.33
HRH1 P35367 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APEX1 P27695 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CD69 Q07108 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL7385232 0.75 ALDH1A1 (0.50) ALDH1A1HTR2AKDM4EALOX15TSHR
SCHEMBL6070424 0.75 ALDH1A1 (0.43) ALDH1A1HTR2AHTR2CHRH1THRB
SCHEMBL6070187 0.71 ALDH1A1 (0.44) ALDH1A1GRIN2BGAAKCNH2
SCHEMBL11704517 0.70 BRD4 (0.38) ALDH1A1NPC1RAB9AGAAKCNH2
SCHEMBL11704243 0.69 BRD4 (0.37) ALDH1A1NPC1RAB9AKCNH2
SCHEMBL1206839 0.69 ALDH1A1 (0.45) ALDH1A1HTR2AKDM4ENPSR1GAA
SCHEMBL13005573 0.68 HTR2A (0.46) HTR2ANPC1RAB9AHTR2CHRH1
SCHEMBL524258 0.68 KMT2A (0.39) TSHRNPSR1THRBTDP1
SCHEMBL5740020 0.67 HTR2A (0.48) ALDH1A1HTR2ATSHRHTR2CTDP1
SCHEMBL11700264 0.67 BRD4 (0.42) ALDH1A1KDM4ETSHRGAAKCNH2

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 5 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
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