SCHEMBL10653654

SCHEMBL10653654

NCCCCC(C(=O)O)N(Cl)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPOR P19235 3/20 0.49
▸ FOLH1 Q04609 4/20 0.43
▸ LTA4H P09960 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ITGB3 P05106 4/20 0.42
▸ ITGA2B P08514 4/20 0.42
▸ CPB2 Q96IY4 2/20 0.41
▸ ECE1 P42892 1/20 0.41
▸ CPB1 P15086 1/20 0.41
▸ MMP2 P08253 1/20 0.41

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
SCHEMBL1526185 1.00 EPOR (0.49) EPORFOLH1LTA4HALDH1A1ITGB3
SCHEMBL22804052 0.87 EPOR (0.51) EPORFOLH1LTA4HITGB3ITGA2B
SCHEMBL3776750 0.87 EPOR (0.51) EPORFOLH1LTA4HITGB3ITGA2B
SCHEMBL1491987 0.87 EPOR (0.51) EPORFOLH1LTA4HITGB3ITGA2B
SCHEMBL8213619 0.86 EPOR (0.50) EPORFOLH1LTA4HITGB3ITGA2B
SCHEMBL8213617 0.86 EPOR (0.50) EPORFOLH1LTA4HITGB3ITGA2B
SCHEMBL12504602 0.85 FOLH1 (0.54) EPORFOLH1LTA4HALDH1A1ITGB3
SCHEMBL3222447 0.85 EPOR (0.52) EPORFOLH1LTA4HITGB3ITGA2B
SCHEMBL27513666 0.84 EPOR (0.54) EPORFOLH1LTA4HALDH1A1ITGB3
SCHEMBL30417019 0.84 EPOR (0.54) EPORFOLH1LTA4HALDH1A1ITGB3

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-4734400-A BRONCHODILATION WITHOUT CARDIOVASCULAR SIDE EFFECTS HOFFMANN-LA ROCHE INC. (US) 1988-03-29 — — US disclosed
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