SCHEMBL28064622

SCHEMBL28064622

NCc1cccc(C[C@@H](N)CC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.49
ERAP1 Q9NZ08 2/20 0.49
ENPEP Q07075 1/20 0.49
FOLH1 Q04609 1/20 0.45
MMP2 P08253 2/20 0.43
ENPP2 Q13822 1/20 0.43
EPHX1 P07099 1/20 0.42
SLC7A5 Q01650 1/20 0.42
CPA1 P15085 2/20 0.42
CPB1 P15086 1/20 0.42
CPA3 P15088 1/20 0.42
CPB2 Q96IY4 1/20 0.42
LOXL2 Q9Y4K0 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC1A1 P43005 2/20 0.41
GRIA2 P42262 1/20 0.41

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
SCHEMBL28828020 1.00 ANPEP (0.49) ANPEPERAP1ENPEPFOLH1MMP2
SCHEMBL28064623 1.00 ANPEP (0.49) ANPEPERAP1ENPEPFOLH1MMP2
SCHEMBL28064621 0.86 ANPEP (0.51) ANPEPERAP1ENPEPMMP2EPHX1
SCHEMBL28064695 0.86 ANPEP (0.51) ANPEPERAP1ENPEPMMP2EPHX1
SCHEMBL28064620 0.86 ANPEP (0.51) ANPEPERAP1ENPEPMMP2EPHX1
SCHEMBL289224 0.83 ANPEP (0.49) ANPEPENPEPFOLH1EPHX1SLC7A5
SCHEMBL30810322 0.83 GRIA2 (0.55) ANPEPERAP1ENPEPFOLH1ENPP2
SCHEMBL22734422 0.83 GRIA2 (0.55) ANPEPERAP1ENPEPFOLH1ENPP2
SCHEMBL27999580 0.83 ANPEP (0.49) ANPEPENPEPFOLH1EPHX1SLC7A5
SCHEMBL287736 0.82 EPHX1 (0.64) ANPEPENPEPMMP2EPHX1SLC7A5

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