SCHEMBL7368172

SCHEMBL7368172

NC(Cc1ccccc1)C(O)C1CCCCC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.44
SLC15A1 P46059 1/20 0.43
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
DPP4 P27487 3/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
FAP Q12884 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
ACE P12821 1/20 0.39
LAP3 P28838 3/20 0.39
ANPEP P15144 1/20 0.39
RNPEP Q9H4A4 1/20 0.39
DNPEP Q9ULA0 1/20 0.39

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
SCHEMBL10591375 0.97 SLC15A1 (0.43) TAAR1SLC15A1ALPIPKMPTGS1
SCHEMBL10590665 0.86 CYP3A4 (0.47) SLC15A1LAP3ANPEPRNPEPDNPEP
SCHEMBL7360306 0.84 SLC15A1 (0.47) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7361302 0.83 CYP1A2 (0.47) SLC15A1LAP3ANPEPRNPEPDNPEP
SCHEMBL7359102 0.77 CYP1A2 (0.52) SLC15A1LAP3ANPEPRNPEPDNPEP
SCHEMBL7357671 0.77 SLC15A1 (0.44) TAAR1SLC15A1ALPIPKMPTGS1
SCHEMBL6580113 0.77 SLC15A1 (0.44) TAAR1SLC15A1ALPIPKMPTGS1
SCHEMBL11998010 0.77 SLC15A1 (0.44) TAAR1SLC15A1ALPIPKMPTGS1
SCHEMBL11998023 0.77 SLC15A1 (0.44) TAAR1SLC15A1ALPIPKMPTGS1
SCHEMBL10871667 0.76 EPHX2 (0.45) TAAR1SLC15A1ALPIPKMPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed