SCHEMBL9570547

SCHEMBL9570547

O=C1NC(=O)C(Cc2ccc(OCCCCCOc3ccc(CC4SC(=O)NC4=O)c4ccccc34)cc2)S1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.57
FFAR1 O14842 10/20 0.55
HRH3 Q9Y5N1 1/20 0.53
PPARA Q07869 2/20 0.52
MPC2 O95563 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2C9 P11712 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL9570555 0.92 CA2 (0.48) PPARGFFAR1HRH3PPARAMAPT
SCHEMBL13846795 0.87 SLC2A1 (0.47) PPARGFFAR1PPARACYP2C9MEN1
SCHEMBL8313024 0.86 FFAR1 (0.64) PPARGFFAR1HRH3PPARAMEN1
SCHEMBL13846788 0.85 CNR2 (0.46) PPARGFFAR1PPARATSHR
SCHEMBL13846806 0.84 CA2 (0.47) PPARGFFAR1PPARAMAPT
SCHEMBL13846718 0.84 CNR2 (0.47) PPARGFFAR1PPARATSHR
SCHEMBL9570560 0.84 FFAR1 (0.69) PPARGFFAR1HRH3PPARAMPC2
SCHEMBL9570853 0.84 FFAR1 (0.69) PPARGFFAR1HRH3PPARAMPC2
SCHEMBL9570574 0.84 FFAR1 (0.69) PPARGFFAR1HRH3PPARAMPC2
SCHEMBL8957444 0.84 FFAR1 (0.69) PPARGFFAR1HRH3PPARAMPC2

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
EP-0533933-A1 BISHETEROCYCLIC COMPOUND YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-31 EP disclosed