SCHEMBL8601650

SCHEMBL8601650

O=C1NC(=O)C(Cc2ccc(OCCCC3NC(=O)c4cc(C(=O)O)ccc4O3)cc2)S1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.49
FFAR1 O14842 11/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MPC2 O95563 2/20 0.45
CYP2C8 P10632 2/20 0.45
CYP2C9 P11712 2/20 0.45
PPARA Q07869 2/20 0.45
CYP3A4 P08684 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RXRA P19793 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
SCHEMBL8602291 0.95 PPARG (0.50) PPARGFFAR1HRH3MPC2CYP2C8
SCHEMBL210575 0.78 PPARG (0.68) PPARGFFAR1HRH3MPC2CYP2C8
SCHEMBL8798265 0.77 HRH3 (0.52) PPARGFFAR1HRH3MPC2CYP2C8
SCHEMBL6600669 0.76 PPARG (0.53) PPARGFFAR1HRH3PPARACYP3A4
SCHEMBL8802229 0.76 HRH3 (0.48) PPARGFFAR1HRH3MPC2CYP2C8
SCHEMBL9570560 0.74 FFAR1 (0.69) PPARGFFAR1HRH3MPC2CYP2C8
SCHEMBL8957444 0.74 FFAR1 (0.69) PPARGFFAR1HRH3MPC2CYP2C8
SCHEMBL9570574 0.74 FFAR1 (0.69) PPARGFFAR1HRH3MPC2CYP2C8
SCHEMBL9570853 0.74 FFAR1 (0.69) PPARGFFAR1HRH3MPC2CYP2C8
SCHEMBL9570653 0.74 FFAR1 (0.69) PPARGFFAR1HRH3MPC2CYP2C8

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-5710152-A ANTIDIABETIC, ANTILIPEMIC, AND HYPOGLYCEMIC AGENTS; DIETETICS SS PHARMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed