SCHEMBL8694064

SCHEMBL8694064

NC(=O)CCc1csc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.53
PPARA Q07869 4/20 0.53
PPARG P37231 2/20 0.53
ITGB3 P05106 1/20 0.48
ITGB1 P05556 1/20 0.48
ITGAV P06756 1/20 0.48
ITGA5 P08648 1/20 0.48
ITGB5 P18084 1/20 0.48
FFAR1 O14842 3/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PARP10 Q53GL7 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MDH2 P40926 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
CYP3A4 P08684 1/20 0.42

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
SCHEMBL8019368 0.91 FFAR1 (0.53) PPARDPPARAPPARGFFAR1TNKS2
SCHEMBL8695194 0.91 PPARD (0.58) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL8695196 0.81 FFAR1 (0.64) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL3882956 0.79 MAOB (0.56) FFAR1PARP10FFAR4SPHK2SPHK1
SCHEMBL8905373 0.75 CYP2A6 (0.58) SMN1; SMN2
SCHEMBL30138881 0.75 CYP2A6 (0.58) SMN1; SMN2
SCHEMBL7405256 0.75 PPARD (0.48) PPARDPPARAPPARGFFAR1TNKS2
SCHEMBL5441264 0.74 MAOB (0.51) PPARDPPARAPPARGTNKS2PARP2
SCHEMBL2912575 0.74 FFAR1 (0.66) FFAR1PARP10FFAR4SMN1; SMN2SPHK2
SCHEMBL2170636 0.74 FFAR1 (0.77) FFAR1PARP10FFAR4

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
US-5721276-A TREATING DISORDERS OF MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1998-02-24 US disclosed