SCHEMBL15211376

SCHEMBL15211376

CC(=O)Oc1csc2cc(OCc3sc(C)nc3C)ccc12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.48
PPARA Q07869 6/20 0.48
FFAR1 O14842 11/20 0.39
PPARG P37231 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL17431454 0.89 PPARD (0.40) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL15211188 0.87 PPARD (0.53) PPARDPPARAFFAR1PPARG
SCHEMBL15211710 0.87 PPARD (0.47) PPARDPPARAFFAR1PPARGALDH1A1
SCHEMBL17431307 0.81 PPARD (0.69) PPARDPPARAFFAR1PPARG
SCHEMBL15211405 0.81 PPARD (0.40) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL17431258 0.81 PPARD (0.39) PPARDPPARAFFAR1PPARGALDH1A1
SCHEMBL17431280 0.80 PPARD (0.40) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL15211482 0.80 PPARD (0.38) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL15211560 0.79 PPARD (0.39) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL17444869 0.79 PPARD (0.57) PPARDPPARAFFAR1PPARGALDH1A1

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
EP-2838891-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-25 EP disclosed
WO-2013125732-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-29 WO disclosed