SCHEMBL5677018

SCHEMBL5677018

CC(=N)NCC1CCC(CNC(=O)c2cc3cc(C(N)=O)ccc3[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 16/20 0.49
▸ ITGA2B P08514 16/20 0.49
▸ MMP2 P08253 1/20 0.48
▸ MMP13 P45452 1/20 0.48
▸ PYGL P06737 1/20 0.45

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
SCHEMBL5680395 0.81 ITGB3 (0.47) ITGB3ITGA2BPYGL
SCHEMBL5677261 0.80 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7255843 0.77 ITGB3 (0.63) ITGB3ITGA2BMMP2MMP13
SCHEMBL6885051 0.74 KDM4E (0.67) —
SCHEMBL21822116 0.73 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL15478837 0.73 EGFR (0.57) ITGB3ITGA2BMMP2MMP13PYGL
SCHEMBL5896939 0.71 ITGB3 (0.60) ITGB3ITGA2BMMP2MMP13
SCHEMBL2760120 0.71 MLLT1 (0.66) PYGL
SCHEMBL1651087 0.70 MMP2 (0.66) ITGB3ITGA2BMMP2MMP13
SCHEMBL5897019 0.70 HDAC2 (0.44) PYGL

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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