SCHEMBL7256341

SCHEMBL7256341

CC(C)CCn1cnc(CC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 15/20 0.50
CPB1 P15086 9/20 0.50
CPA1 P15085 1/20 0.44
LPAR1 Q92633 1/20 0.39
WDR5 P61964 1/20 0.37

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
SCHEMBL27803087 0.82 CPB2 (0.53) CPB2CPB1LPAR1
SCHEMBL27803207 0.79 CPB2 (0.55) CPB2CPB1LPAR1
Hydrochloric Acid SCHEMBL6333571 0.79 CPB2 (0.51) CPB2CPB1CPA1
SCHEMBL1441194 0.78 CPB2 (0.50) CPB2CPB1LPAR1
SCHEMBL16805452 0.78 CPB2 (0.43) CPB2CPB1CPA1WDR5
SCHEMBL14481389 0.78 CPB2 (0.44) CPB2CPB1LPAR1
SCHEMBL7261614 0.77 CPB2 (0.40) CPB2CPB1CPA1WDR5
SCHEMBL27803083 0.77 CPB2 (0.54) CPB2CPB1
SCHEMBL27781569 0.77 CPB2 (0.54) CPB2CPB1
SCHEMBL3839317 0.74 CPB2 (0.80) CPB2CPB1

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
WO-2003013526-A1 ANTICOAGULANT COMPOUNDS MERCK & CO. INC. (US) 2003-02-20 WO disclosed