SCHEMBL6965546

SCHEMBL6965546

CC(C)c1ccc(C(N)CC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.50
USP5 P45974 1/20 0.50
CYP2C9 P11712 5/20 0.46
CYP2D6 P10635 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CYP2C19 P33261 2/20 0.46
GABBR2 O75899 3/20 0.44
GABBR1 Q9UBS5 3/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD3 P35462 1/20 0.44
BLM P54132 1/20 0.44
CYP1A2 P05177 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
POLB P06746 2/20 0.44

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
SCHEMBL2303463 0.86 SMN1; SMN2 (0.54) FFAR1CYP2C9CYP2D6KMT2AMEN1
SCHEMBL7104404 0.86 SMN1; SMN2 (0.54) FFAR1CYP2C9CYP2D6KMT2AMEN1
SCHEMBL3513415 0.84 FFAR1 (0.50) FFAR1CYP2C9CYP2D6KMT2AMEN1
SCHEMBL390335 0.84 CYP2C9 (0.64) FFAR1CYP2C9CYP2D6KMT2AMEN1
SCHEMBL390336 0.84 CYP2C9 (0.64) FFAR1CYP2C9CYP2D6KMT2AMEN1
SCHEMBL1138675 0.84 FFAR1 (0.50) FFAR1CYP2C9CYP2D6KMT2AMEN1
SCHEMBL5721009 0.84 CYP2C9 (0.64) FFAR1CYP2C9CYP2D6KMT2AMEN1
SCHEMBL1138613 0.84 FFAR1 (0.50) FFAR1CYP2C9CYP2D6KMT2AMEN1
Hydrochloric Acid SCHEMBL20446442 0.82 CYP2C9 (0.62) FFAR1CYP2C9CYP2D6KMT2AMEN1
Hydrochloric Acid SCHEMBL18130541 0.82 CYP2C9 (0.62) FFAR1CYP2C9CYP2D6KMT2AMEN1

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-1098878-B1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS CEPHALON FRANCE (FR) 2003-12-17 EP disclosed
EP-1098878-A1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS LABORATOIRE L. LAFON (FR) 2001-05-16 EP disclosed
WO-2000003986-A1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS LABORATOIRE L. LAFON (FR) 2000-01-27 WO disclosed