SCHEMBL9979505

SCHEMBL9979505

COC(=O)CC1CSc2cc(OCc3cccc4c3CN(c3ccc(OC(F)(F)F)cc3)C4=O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.35
UGCG Q16739 3/20 0.33
S1PR1 P21453 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
LIPE Q05469 6/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
NTRK1 P04629 1/20 0.31
THRB P10828 1/20 0.31
CBLB Q13191 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9979607 0.93 FFAR1 (0.39) FFAR1MRGPRX4UGCGS1PR1PPARD
SCHEMBL9979503 0.92 FFAR1 (0.44) FFAR1MRGPRX4UGCGS1PR1FFAR4
SCHEMBL9979578 0.91 FFAR1 (0.43) FFAR1UGCG
SCHEMBL9979533 0.84 FFAR1 (0.44) FFAR1MRGPRX4UGCGS1PR1FFAR4
SCHEMBL9979534 0.83 FFAR1 (0.49) FFAR1UGCGFFAR4PPARDPPARA
SCHEMBL9979615 0.80 PPARD (0.46) FFAR1MRGPRX4UGCGFFAR4LIPE
SCHEMBL9979507 0.79 PPARD (0.47) FFAR1PPARDPPARA
SCHEMBL9979501 0.79 PPARD (0.47) FFAR1PPARDPPARA
SCHEMBL9979527 0.78 FFAR1 (0.42) FFAR1PPARD
SCHEMBL9979530 0.78 FFAR1 (0.46) FFAR1PPARD

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