SCHEMBL7769274

SCHEMBL7769274

CC(=O)N(c1cccnc1)[C@@H](C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
GAA P10253 4/20 0.43
ALDH1A1 P00352 2/20 0.43
APP P05067 1/20 0.43
HCAR3 P49019 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
HPGD P15428 1/20 0.41
TBXAS1 P24557 3/20 0.40
TSHR P16473 1/20 0.40
KCNA5 P22460 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
SARM1 Q6SZW1 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39

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
SCHEMBL7754416 0.86 F7 (0.45) HTTGAAALDH1A1APPHCAR3
SCHEMBL10094158 0.85 GAA (0.47) HTTGAAALDH1A1APPHCAR3
SCHEMBL1061794 0.81 LMNA (0.49) ALDH1A1HPGDTSHRLMNA
SCHEMBL11249889 0.81 LMNA (0.49) ALDH1A1HPGDTSHRLMNA
SCHEMBL2968427 0.81 LMNA (0.49) ALDH1A1HPGDTSHRLMNA
SCHEMBL16585493 0.81 HTT (0.43) HTTGAAALDH1A1APPHCAR3
SCHEMBL16585492 0.81 HTT (0.43) HTTGAAALDH1A1APPHCAR3
SCHEMBL7156656 0.80 HTT (0.39) HTTGAAALDH1A1APPHCAR3
SCHEMBL31048871 0.80 HTT (0.39) HTTGAAALDH1A1APPHCAR3
SCHEMBL1116491 0.80 HTT (0.39) HTTGAAALDH1A1APPHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121446-A1 AMINOACYLASE AND ITS USE IN THE PRODUCTION OF D-AMINOACIDS Chirotech Technology Limited (GB) 2001-08-08 EP disclosed
WO-2000023598-A1 AMINOACYLASE AND ITS USE IN THE PRODUCTION OF D-AMINOACIDS CHIROTECH TECHNOLOGY LIMITED (GB) 2000-04-27 WO disclosed