SCHEMBL10654495

SCHEMBL10654495

NC(C(=O)O)[C@@H](O)CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.53
SLC1A2 P43004 3/20 0.53
SLC1A1 P43005 3/20 0.53
ERAP1 Q9NZ08 4/20 0.51
ANPEP P15144 3/20 0.51
ERAP2 Q6P179 3/20 0.51
METAP2 P50579 1/20 0.49
METAP1 P53582 1/20 0.49
GRIK1 P39086 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48

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
SCHEMBL1880545 1.00 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1ERAP1ANPEP
SCHEMBL1881095 1.00 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1ERAP1ANPEP
SCHEMBL1884112 1.00 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1ERAP1ANPEP
Hydrochloric Acid SCHEMBL1880225 0.98 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1ERAP1ANPEP
Hydrochloric Acid SCHEMBL1881444 0.98 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1ERAP1ANPEP
Hydrochloric Acid SCHEMBL1886816 0.98 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1ERAP1ANPEP
SCHEMBL4728548 0.89 GRIK1 (0.58) SLC1A3SLC1A2SLC1A1ERAP1ANPEP
SCHEMBL14177426 0.89 GRIK1 (0.58) SLC1A3SLC1A2SLC1A1ERAP1ANPEP
SCHEMBL14169359 0.89 GRIK1 (0.58) SLC1A3SLC1A2SLC1A1ERAP1ANPEP
SCHEMBL14169646 0.88 GRIK1 (0.53) SLC1A3SLC1A2SLC1A1GRIK1MEN1

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
US-4725580-A ARTERIAL TENSION SANOFI (FR) 1988-02-16 US claimed