SCHEMBL11066932

SCHEMBL11066932

O=C1NC(=O)C(Cc2ccc(OCc3ccc(Cl)cc3)cc2)S1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.77
PPARA Q07869 3/20 0.77
PPARG P37231 7/20 0.66
MAPT P10636 2/20 0.57
CYP3A4 P08684 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HRH3 Q9Y5N1 1/20 0.56
RXRA P19793 1/20 0.53

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
SCHEMBL8312136 0.93 FFAR1 (0.87) FFAR1PPARAPPARGMAPTCYP3A4
SCHEMBL9617865 0.90 FFAR1 (0.66) FFAR1PPARAPPARGMAPTCYP3A4
SCHEMBL6381220 0.88 FFAR1 (0.65) FFAR1PPARAPPARGMAPTCYP3A4
SCHEMBL1299855 0.88 FFAR1 (0.80) FFAR1PPARAPPARGMAPTCYP3A4
SCHEMBL8252079 0.88 PPARG (0.71) FFAR1PPARAPPARGMAPTCYP3A4
SCHEMBL1299621 0.85 FFAR1 (0.83) FFAR1PPARAPPARGMAPTCYP3A4
SCHEMBL14381312 0.85 FFAR1 (0.73) FFAR1PPARAPPARGMAPTCYP3A4
SCHEMBL8316232 0.84 FFAR1 (0.84) FFAR1PPARAPPARGMAPTCYP3A4
SCHEMBL6928170 0.84 PPARG (0.79) FFAR1PPARAPPARGMAPTCYP3A4
SCHEMBL9570670 0.83 FFAR1 (0.71) FFAR1PPARAPPARGMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4444779-A ANTILIPEMIC, HYPOGLYCEMIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-04-24 US disclosed
US-4438141-A ANTIDIABETIC AGENTS, ANTILIPEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-03-20 US disclosed
EP-0008203-B1 THIAZOLIDINE DERIVATIVES, PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Takeda Chemical Industries, Ltd. (JP) 1982-08-25 EP disclosed
US-4340605-A TREATMENT OF DIABETES AND HYPERLIPEMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-07-20 US disclosed
US-4287200-A USEFUL AS REMEDIES FOR DIABETES AND HYPERLIPEMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-09-01 US disclosed
EP-0008203-A1 Thiazolidine derivatives, preparing same and pharmaceutical compositions comprising same Takeda Chemical Industries, Ltd. (JP) 1980-02-20 EP disclosed