Sugi Predict

Sugi Predict / Compounds / SCHEMBL7078117

SCHEMBL7078117

SCHEMBL7078117

COCCN1Cc2cc(C(=O)N(C)Cc3nc4ccccc4[nH]3)ccc2NC(CC(=O)O)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 1.00
▸ ITGAV P06756 20/20 1.00
▸ ITGA2B P08514 1/20 0.80

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
SCHEMBL7072095 0.91 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7074204 0.91 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8467709 0.90 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL31321063 0.89 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6946521 0.89 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL245523 0.89 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL5972809 0.89 ITGB3 (0.81) ITGB3ITGAVITGA2B
SCHEMBL5972534 0.88 ITGB3 (0.79) ITGB3ITGAVITGA2B
SCHEMBL8469181 0.88 ITGB3 (0.82) ITGB3ITGAVITGA2B
SCHEMBL8327959 0.87 ITGB3 (1.00) ITGB3ITGAVITGA2B

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-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 — — EP claimed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 — — EP claimed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 — — WO claimed