SCHEMBL7769259

SCHEMBL7769259

CC(=O)N[C@](C)(C(=O)O)c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PTPN1 P18031 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
ERCC5 P28715 1/20 0.37

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
SCHEMBL13626299 0.81 KMT2A (0.41) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL335541 0.76 KMT2A (0.38) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL28529969 0.74 KMT2A (0.46) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL9402238 0.74 MAPT (0.44) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL27964089 0.74 MAPT (0.44) KMT2AMEN1RAB9ANPC1GAA
Hydrochloric Acid SCHEMBL9402285 0.73 MAPT (0.43) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL5041397 0.73 MAPT (0.43) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL21807366 0.73 HDAC3 (0.46) KMT2ARAB9ANPC1MAPTALDH1A1
SCHEMBL28250865 0.73 HDAC3 (0.46) KMT2ARAB9ANPC1MAPTALDH1A1
SCHEMBL637383 0.72 MAPT (0.42) KMT2AMEN1RAB9ANPC1MAPT

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