SCHEMBL9251535

SCHEMBL9251535

CCCC(=O)C(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.39
AGTR1 P30556 10/20 0.37
AGTR2 P50052 2/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
PKM P14618 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
ABCB11 O95342 1/20 0.35
GP6 Q9HCN6 1/20 0.35

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
SCHEMBL7311411 0.94 AGTR1 (0.41) MMP8AGTR1AGTR2LTB4R2ABCB11
SCHEMBL8315967 0.90 AGTR1 (0.40) AGTR1LTB4R2ABCB11GP6
SCHEMBL9254418 0.81 PPARG (0.35) AGTR1
SCHEMBL9487766 0.77 AGTR1 (0.46) AGTR1AGTR2LTB4R2ABCB11GP6
SCHEMBL9709552 0.76 IAPP (0.40) AGTR1AGTR2LTB4R2
SCHEMBL1370358 0.76 MME (0.47) MMP8
SCHEMBL27962068 0.76 MME (0.47) MMP8
SCHEMBL840644 0.75 AGTR1 (0.35) AGTR1AGTR2LTB4R2ABCB11GP6
SCHEMBL840643 0.75 AGTR1 (0.37) AGTR1AGTR2LTB4R2ABCB11GP6
SCHEMBL9488684 0.75 AGTR1 (0.58) AGTR1LTB4R2ABCB11GP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389632-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1995-02-14 US disclosed
US-5387747-A Used in the treatment and prevention of cardiovascular diseases: hypertension, cardiac insufficiency and atherosclerosis LABORATOIRES UPSA (FR) 1995-02-07 US disclosed