SCHEMBL11089917

SCHEMBL11089917

COC(=O)C(Cl)Cc1ccc(OC(C)C2CCCCC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.42
ALDH1A1 P00352 1/20 0.41
ACACB O00763 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 1/20 0.37
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL11088655 0.84 ACACB (0.41) GRM2ACACBPPARGPPARDPPARA
SCHEMBL11084088 0.81 THRB (0.50) GRM2ALDH1A1ACACBPPARGPPARD
SCHEMBL5672844 0.72 LDHA (0.59) ALDH1A1ACACBPPARGPPARA
SCHEMBL6970440 0.72 CYP2D6 (0.48) ALDH1A1CYP2D6NPC1HPGDRAB9A
SCHEMBL6977414 0.72 CYP2D6 (0.51) ALDH1A1CYP2D6NPC1HPGDRAB9A
SCHEMBL11078720 0.71 ACACB (0.47) ACACBPPARGPPARDPPARA
SCHEMBL11078939 0.70 MAPT (0.52) ALDH1A1PPARGPPARAHPGD
SCHEMBL9518399 0.69 CYP2D6 (0.49) ALDH1A1CYP2D6MAPK1SLC6A3
SCHEMBL12142816 0.69 MAPT (0.46) ALDH1A1CYP2D6SLC6A3
SCHEMBL11639674 0.68 CYP2D6 (0.48) ALDH1A1CYP2D6MAPK1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4461902-A BLOOD LIPID AND SUGAR LOWERING AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-07-24 US disclosed
EP-0084926-A1 Thiazolidine derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1983-08-03 EP disclosed