SCHEMBL5677261

SCHEMBL5677261

CC(=N)C(N)C1CCC(CNC(=O)c2cc3cc(C(=O)O)ccc3[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 17/20 0.46
▸ ITGA2B P08514 17/20 0.46
▸ HRH3 Q9Y5N1 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
SCHEMBL5677018 0.80 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL5680395 0.76 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL26490133 0.70 HRH3 (0.60) ITGB3ITGA2BHRH3
SCHEMBL6885051 0.70 KDM4E (0.67) —
SCHEMBL5897019 0.68 HDAC2 (0.44) —
SCHEMBL5897020 0.67 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL21822116 0.67 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL5897026 0.67 ITGB3 (0.60) ITGB3ITGA2BHRH3
SCHEMBL2760120 0.67 MLLT1 (0.66) —
SCHEMBL5682522 0.67 ITGB3 (0.65) ITGB3ITGA2B

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-1556035-A4 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECH INC (US) 2006-09-13 — — EP disclosed
EP-1556035-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2005-07-27 — — EP disclosed
WO-2004026264-A2 NOVEL AROMATIC COMPOUNDS POSSESSING ANTIFUNGAL OR ANTIBACTERIAL ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2004-04-01 — — WO disclosed
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