SCHEMBL4756170

SCHEMBL4756170

CCOC(=O)C[C@@H](C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 7/20 0.44
TRPA1 O75762 1/20 0.44
TSHR P16473 2/20 0.41
ALOX15 P16050 3/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CHRM1 P11229 1/20 0.40
ADORA1 P30542 1/20 0.40
CYP1A2 P05177 2/20 0.39
LMNA P02545 1/20 0.39
GABRR1 P24046 2/20 0.38
SOAT1 P35610 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36

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
SCHEMBL11366021 1.00 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6911104 1.00 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27708782 0.84 ENPEP (0.41) CYP1A2GABRR1MMP1MMP2MMP3
SCHEMBL17792657 0.84 GAA (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13643227 0.84 GAA (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1245716 0.84 GAA (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5986156 0.84 MMP1 (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL30422146 0.83 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL29124713 0.83 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4548423 0.83 HCAR2 (0.39) ALDH1A1CYP1A2LMNAGABRR1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008155619-A2 PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS PFIZER INC. (US) 2008-12-24 WO disclosed