SCHEMBL7360306

SCHEMBL7360306

NC(Cc1ccccc1)C(O)C1CC1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.47
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 1/20 0.45
CYP1A2 P05177 3/20 0.44
ALDH1A1 P00352 1/20 0.44
SLC1A2 P43004 3/20 0.42
GRM2 Q14416 2/20 0.42
GRM3 Q14832 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
LMNA P02545 1/20 0.42
APEX1 P27695 1/20 0.42
GRM5 P41594 1/20 0.42
PMP22 Q01453 1/20 0.42
GRM1 Q13255 1/20 0.42

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 0.84 SLC15A1 (0.43) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7368172 0.84 TAAR1 (0.44) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7359102 0.78 CYP1A2 (0.52) SLC15A1CYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL7358486 0.72 CYP1A2 (0.43) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7357671 0.71 SLC15A1 (0.44) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL11998023 0.71 SLC15A1 (0.44) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL11998010 0.71 SLC15A1 (0.44) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL6580113 0.71 SLC15A1 (0.44) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL7946886 0.71 TACR1 (0.41) SLC15A1ALPIPKMPTGS1XIAP
SCHEMBL10871667 0.70 EPHX2 (0.45) SLC15A1ALPIPKMPTGS1XIAP

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