SCHEMBL9828026

SCHEMBL9828026

Cc1oc(CCOc2ccc(CC3NC(=O)SC3=O)cc2)nc1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.40
PPARA Q07869 8/20 0.40
PPARD Q03181 1/20 0.38
HRH3 Q9Y5N1 6/20 0.38
CYP3A4 P08684 2/20 0.33
RXRA P19793 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LTA4H P09960 1/20 0.32

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
SCHEMBL8461053 0.83 HRH3 (0.53) PPARGPPARAHRH3CYP3A4RXRA
SCHEMBL9411882 0.80 PPARG (0.41) PPARGPPARAPPARDHRH3CYP3A4
SCHEMBL9829240 0.80 PPARG (0.37) PPARGPPARAPPARDHRH3
SCHEMBL8908572 0.80 PPARG (0.42) PPARGPPARAPPARDHRH3CYP3A4
SCHEMBL9411929 0.76 PPARG (0.41) PPARGPPARACYP3A4
SCHEMBL9411863 0.76 PPARG (0.47) PPARGPPARAPPARDCYP3A4
SCHEMBL9411875 0.74 PPARG (0.47) PPARGPPARACYP3A4
SCHEMBL9827684 0.74 PPARG (0.38) PPARGPPARAPPARDHRH3CYP3A4
SCHEMBL9411854 0.74 PPARG (0.41) PPARGPPARACYP3A4
SCHEMBL9411826 0.73 PPARG (0.43) PPARGPPARAPPARDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0208420-B1 THIAZOLIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-09-18 EP claimed
US-4775687-A ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-10-04 US claimed
EP-0208420-A1 Thiazolidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-01-14 EP claimed