SCHEMBL8379352

SCHEMBL8379352

CC(NC(=O)c1ccc(C(N)=NO)cn1)C(=O)N1CCC(OCC(=O)O)CC1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.81
ITGA2B P08514 12/20 0.81
POLB P06746 1/20 0.38
MBOAT4 Q96T53 1/20 0.37
SMYD3 Q9H7B4 1/20 0.35
P2RY12 Q9H244 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PRKAB2 O43741 1/20 0.35
CYP3A4 P08684 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35

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
SCHEMBL8379356 1.00 ITGB3 (0.81) ITGB3ITGA2BPOLBMBOAT4SMYD3
SCHEMBL8379329 1.00 ITGB3 (0.81) ITGB3ITGA2BPOLBMBOAT4SMYD3
SCHEMBL8379343 1.00 ITGB3 (0.81) ITGB3ITGA2BPOLBMBOAT4SMYD3
SCHEMBL6947214 0.90 ITGB3 (1.00) ITGB3ITGA2BPOLB
SCHEMBL7285318 0.90 ITGB3 (1.00) ITGB3ITGA2BPOLB
SCHEMBL7285305 0.90 ITGB3 (1.00) ITGB3ITGA2BPOLB
SCHEMBL6947203 0.90 ITGB3 (1.00) ITGB3ITGA2BPOLB
SCHEMBL7274714 0.89 ITGB3 (0.80) ITGB3ITGA2B
SCHEMBL8650403 0.86 ITGB3 (0.59) ITGB3ITGA2BPOLBMBOAT4SMYD3
SCHEMBL8379278 0.84 ITGB3 (0.59) ITGB3ITGA2BMBOAT4SMYD3P2RY12

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-5973188-A Acetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1999-10-26 US disclosed