SCHEMBL11036087

SCHEMBL11036087

CC(OCc1ccccc1)[C@H](NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.59
PPARA Q07869 1/20 0.59
MMP9 P14780 2/20 0.53
MMP8 P22894 2/20 0.53
PYGL P06737 1/20 0.53
CYP2C9 P11712 1/20 0.53
SLC1A2 P43004 1/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
PRSS1 P07477 1/20 0.46
CTSG P08311 1/20 0.46
CTRB1 P17538 1/20 0.46
CMA1 P23946 1/20 0.46
GPR132 Q9UNW8 3/20 0.46

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
SCHEMBL11037532 1.00 PPARG (0.59) PPARGPPARAMMP9MMP8PYGL
SCHEMBL10668355 1.00 PPARG (0.59) PPARGPPARAMMP9MMP8PYGL
SCHEMBL10668352 1.00 PPARG (0.59) PPARGPPARAMMP9MMP8PYGL
SCHEMBL19520895 0.85 MMP9 (0.55) MMP9MMP8PYGLCYP2C9SLC1A2
SCHEMBL19520896 0.85 MMP9 (0.55) MMP9MMP8PYGLCYP2C9SLC1A2
SCHEMBL25139519 0.84 MMP9 (0.55) MMP9MMP8PYGLCYP2C9SLC1A2
SCHEMBL9556633 0.84 MMP9 (0.55) MMP9MMP8PYGLCYP2C9SLC1A2
SCHEMBL10421483 0.83 CTSL (0.56) MMP9MMP8CYP2C9RAB9AMEN1
SCHEMBL1132569 0.83 CTSL (0.56) MMP9MMP8CYP2C9RAB9AMEN1
SCHEMBL11573515 0.83 CTSL (0.56) MMP9MMP8CYP2C9RAB9AMEN1

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
EP-0036713-B1 ANGIOTENSIN CONVERTING ENZYME INHIBITORS UNIVERSITY OF MIAMI (US) 1984-01-18 EP disclosed