SCHEMBL17444872

SCHEMBL17444872

CCOC(=O)Cc1csc2cc(OCc3oc(C)nc3C)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.47
PPARA Q07869 7/20 0.47
PPARG P37231 3/20 0.44
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.41
MAOB P27338 3/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 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

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
SCHEMBL17431257 0.90 PPARD (0.57) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL17444873 0.87 PPARA (0.44) PPARDPPARAPPARGALDH1A1KMT2A
SCHEMBL17444853 0.82 PPARD (0.47) PPARDPPARAPPARGALDH1A1KMT2A
SCHEMBL17444869 0.82 PPARD (0.57) PPARDPPARAPPARGALDH1A1KMT2A
SCHEMBL17444879 0.82 PPARD (0.47) PPARDPPARAPPARGALDH1A1KMT2A
SCHEMBL17444883 0.81 PPARD (0.46) PPARDPPARAPPARGALDH1A1KMT2A
SCHEMBL15220499 0.81 PPARD (0.46) PPARDPPARAPPARGALDH1A1KMT2A
SCHEMBL15220437 0.80 PPARD (0.48) PPARDPPARAPPARGALDH1A1KMT2A
SCHEMBL15211501 0.80 PPARD (0.45) PPARDPPARAPPARGALDH1A1KMT2A
SCHEMBL15220416 0.80 PPARD (0.56) PPARDPPARAPPARGALDH1A1KMT2A

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