SCHEMBL19190832

SCHEMBL19190832

COC(=O)Cc1csc2cc(OCc3ccc(C)nc3C)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
PPARG P37231 3/20 0.45
ITGB3 P05106 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGAV P06756 1/20 0.41
ITGA5 P08648 1/20 0.41
ITGB5 P18084 1/20 0.41
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MTNR1A P48039 5/20 0.36
MTNR1B P49286 4/20 0.36
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
DYRK1A Q13627 1/20 0.36
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL17444853 0.91 PPARD (0.47) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211403 0.90 PPARD (0.58) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL19190806 0.90 PPARD (0.49) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL15211857 0.89 PPARD (0.48) PPARDPPARAPPARGITGB3ITGB1
SCHEMBL17444885 0.85 PPARD (0.47) PPARDPPARAPPARGALDH1A1RAB9A
SCHEMBL19192066 0.85 PPARD (0.39) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL17444893 0.85 PPARD (0.41) PPARDPPARAPPARGALDH1A1KDM4E
SCHEMBL17444895 0.84 PPARD (0.38) PPARDPPARAPPARGALDH1A1MTNR1A
SCHEMBL15220507 0.84 PPARD (0.38) PPARDPPARAPPARGALDH1A1MAPT
SCHEMBL17444856 0.84 PPARD (0.49) 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 1 patent. 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