SCHEMBL6460442

SCHEMBL6460442

CC(c1cccc2ccccc12)C(C)[C@@H](N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
ALOX5 P09917 1/20 0.46
ALDH1A1 P00352 2/20 0.46
METAP2 P50579 3/20 0.43
METAP1 P53582 3/20 0.43
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
EPHX2 P34913 2/20 0.40

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
SCHEMBL6460441 1.00 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1ALOX5ALDH1A1
SCHEMBL5326799 0.90 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1ALOX5ALDH1A1
SCHEMBL7366366 0.90 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1ALOX5ALDH1A1
SCHEMBL26966061 0.90 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1ALOX5ALDH1A1
SCHEMBL19682744 0.90 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1ALOX5ALDH1A1
SCHEMBL29628527 0.90 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1ALOX5ALDH1A1
SCHEMBL6464059 0.84 ALDH1A1 (0.49) SLC1A3SLC1A2SLC1A1ALOX5ALDH1A1
SCHEMBL6464051 0.84 ALDH1A1 (0.49) SLC1A3SLC1A2SLC1A1ALOX5ALDH1A1
SCHEMBL5028930 0.81 ALOX5 (0.48) ALOX5ALDH1A1METAP2METAP1CYP2C9
SCHEMBL27806940 0.79 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1ALOX5ALDH1A1

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