SCHEMBL6459207

SCHEMBL6459207

COc1ccc(C[C@@H](CN)CC(=O)O)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.61
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
CA2 P00918 3/20 0.45
CA5A P35218 1/20 0.45
MMP1 P03956 1/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL6466011 0.82 LDHA (0.57) LDHAKDM4EATMALOX15ALOX12
Malic Acid SCHEMBL9474324 0.79 LDHA (0.57) LDHAKDM4EATMALOX15ALOX12
SCHEMBL4989068 0.78 LDHA (0.58) LDHA
SCHEMBL4032029 0.77 LDHA (0.61) LDHAALOX15ALOX12ALDH1A1GAA
SCHEMBL490731 0.77 LDHA (1.00) LDHAATMALOX15ALOX12ALDH1A1
SCHEMBL159001 0.76 LDHA (0.73) LDHAKDM4EALOX15ALOX12ALDH1A1
SCHEMBL31242504 0.76 LDHA (0.73) LDHAKDM4EALOX15ALOX12ALDH1A1
SCHEMBL30013904 0.76 LDHA (0.73) LDHAKDM4EALOX15ALOX12ALDH1A1
SCHEMBL29637606 0.76 LDHA (0.73) LDHAKDM4EALOX15ALOX12ALDH1A1
SCHEMBL159000 0.76 LDHA (0.73) LDHAKDM4EALOX15ALOX12ALDH1A1

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-1493819-B1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER UBE INDUSTRIES (JP) 2014-11-12 EP disclosed
EP-1493819-A1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER Ube Industries, Ltd. (JP) 2005-01-05 EP disclosed