SCHEMBL13680924

SCHEMBL13680924

O=CCCc1coc(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.44
NOTUM Q6P988 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
FFAR1 O14842 1/20 0.37
SUCNR1 Q9BXA5 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
TP53 P04637 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
SCHEMBL1051604 0.80 NOTUM (0.47) SCN10ANOTUMS1PR1S1PR3PPARG
SCHEMBL14603452 0.80 SCN10A (0.48) SCN10ANOTUMS1PR1S1PR3PPARG
SCHEMBL13680927 0.78 LMNA (0.45) PPARGPPARAHDAC1HDAC8HDAC6
SCHEMBL13680921 0.78 DRD2 (0.48) PPARGPPARAFFAR1HDAC1HDAC8
SCHEMBL16399524 0.77 SCN10A (0.48) SCN10ANOTUMS1PR1S1PR3HDAC3
SCHEMBL13680824 0.75 SUCNR1 (0.44) SCN10ASUCNR1HDAC3HDAC1HDAC2
SCHEMBL13680931 0.74 SHMT2 (0.56) SCN10ATP53
SCHEMBL2056110 0.72 SCN10A (0.54) SCN10ANOTUMS1PR1S1PR3TP53
SCHEMBL584633 0.71 GPR84 (0.49) FFAR1
SCHEMBL28321744 0.70 SCN10A (0.62) SCN10ANOTUMS1PR1S1PR3HDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed