SCHEMBL9979509

SCHEMBL9979509

O=C(O)C1Cc2cccc(OCc3cccc4c3CN(c3ccc(C(F)(F)F)cc3)C4=O)c2C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 11/20 0.42
S1PR5 Q9H228 4/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
CHRNB2 P17787 1/20 0.37
HTR1B P28222 1/20 0.37
SLC6A4 P31645 1/20 0.37
CHRNA4 P43681 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL9979514 0.91 UGCG (0.42) UGCGS1PR5MRGPRX4CHRNB2HTR1B
SCHEMBL9979557 0.76 UGCG (0.45) UGCGCHRNB2HTR1BSLC6A4CHRNA4
SCHEMBL9979564 0.73 PPARD (0.59)
SCHEMBL9979641 0.73 PPARD (0.59)
SCHEMBL9979670 0.72 PPARD (0.53)
SCHEMBL9979554 0.71 UGCG (0.43) UGCG
SCHEMBL9979533 0.71 FFAR1 (0.44) UGCGS1PR5MRGPRX4
SCHEMBL9979621 0.71 FFAR1 (0.52)
SCHEMBL9979523 0.71 FFAR1 (0.52)
SCHEMBL9979661 0.71 FFAR1 (0.52)

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-2012081570-A1 LACTAM COMPOUND OR A SALT THEREOF, AND PPAR ACTIVATOR あすか製薬株式会社 (JP) 2012-06-21 WO disclosed