SCHEMBL17444869

SCHEMBL17444869

CCOC(=O)Cc1csc2cc(OCc3sc(C)nc3C)ccc12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.57
PPARA Q07869 9/20 0.57
PPARG P37231 3/20 0.44
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAOB P27338 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA5 P08648 1/20 0.38
ITGB5 P18084 1/20 0.38
FFAR1 O14842 1/20 0.37

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
SCHEMBL15220416 0.90 PPARD (0.56) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL15220420 0.90 PPARD (0.49) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL17431307 0.90 PPARD (0.69) PPARDPPARAPPARGMEN1KMT2A
SCHEMBL17444881 0.89 PPARD (0.55) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL17444887 0.88 PPARD (0.56) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL17444888 0.88 PPARD (0.62) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL17444853 0.82 PPARD (0.47) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL17444872 0.82 PPARD (0.47) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL17444879 0.82 PPARD (0.47) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL17431273 0.81 PPARD (0.66) PPARDPPARAPPARGALDH1A1MAPT

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-2838891-B1 AROMATIC RING COMPOUND AS GHRELIN O-ACYLTRANSFERASE INHIBITOR TAKEDA PHARMACEUTICALS CO (JP) 2017-08-02 EP disclosed
US-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
US-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed