SCHEMBL7285305

SCHEMBL7285305

CC(NC(=O)c1ccc(/C(N)=N/O)cc1)C(=O)N1CCC(OCC(=O)O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 1.00
ITGA2B P08514 16/20 1.00
POLB P06746 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
SCHEMBL7285318 1.00 ITGB3 (1.00) ITGB3ITGA2BPOLB
SCHEMBL6947203 1.00 ITGB3 (1.00) ITGB3ITGA2BPOLB
SCHEMBL6947214 1.00 ITGB3 (1.00) ITGB3ITGA2BPOLB
SCHEMBL8379150 0.91 ITGB3 (0.82) ITGB3ITGA2BPOLB
SCHEMBL8379143 0.91 ITGB3 (0.82) ITGB3ITGA2BPOLB
SCHEMBL8379159 0.91 ITGB3 (0.82) ITGB3ITGA2BPOLB
SCHEMBL8379170 0.91 ITGB3 (0.82) ITGB3ITGA2BPOLB
SCHEMBL8379356 0.90 ITGB3 (0.81) ITGB3ITGA2BPOLB
SCHEMBL8379329 0.90 ITGB3 (0.81) ITGB3ITGA2BPOLB
SCHEMBL8379352 0.90 ITGB3 (0.81) ITGB3ITGA2BPOLB

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-0656348-B1 Aceric acid derivatives as medicaments HOFFMANN LA ROCHE (CH) 2000-05-03 EP claimed
WO-2020033724-A1 INTEGRIN ANTAGONISTS THE GENERAL HOSPITAL CORPORATION (US) 2020-02-13 WO disclosed
US-5973188-A Acetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1999-10-26 US disclosed