SCHEMBL28064693

SCHEMBL28064693

NCc1ccccc1C[C@H](N)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
DPP4 P27487 9/20 0.41
DPP7 Q9UHL4 3/20 0.41
CPA1 P15085 2/20 0.41
CPB1 P15086 1/20 0.41
CPA3 P15088 1/20 0.41
CPB2 Q96IY4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
MMP2 P08253 1/20 0.38

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
SCHEMBL27950990 1.00 GABBR2 (0.44) GABBR2GABBR1DPP4DPP7CPA1
SCHEMBL27950991 1.00 GABBR2 (0.44) GABBR2GABBR1DPP4DPP7CPA1
SCHEMBL288805 0.82 DPP4 (0.41) GABBR2GABBR1DPP4DPP7CPA1
SCHEMBL288309 0.82 DPP4 (0.57) DPP4DPP7DPP8DPP9
SCHEMBL29478389 0.82 DPP4 (0.57) DPP4DPP7DPP8DPP9
SCHEMBL5079144 0.82 AKR1B1 (0.55) GABBR2GABBR1DPP4DPP7CPA1
SCHEMBL978947 0.82 DPP4 (0.57) DPP4DPP7DPP8DPP9
SCHEMBL29478405 0.82 DPP4 (0.57) DPP4DPP7DPP8DPP9
SCHEMBL978945 0.82 DPP4 (0.57) DPP4DPP7DPP8DPP9
SCHEMBL27999736 0.82 DPP4 (0.41) GABBR2GABBR1DPP4DPP7CPA1

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
CN-105555297-A WNT compositions and purification methods UNIV LELAND STANFORD JUNIOR 2016-05-04 CN disclosed