SCHEMBL17859163

SCHEMBL17859163

COc1cccc(NC(=O)CC2=C(C)/C(=C/c3cc(OC)c(O)c(OC)c3)c3ccc(O)cc32)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.51
▸ USP2 O75604 1/20 0.46
▸ NLRP3 Q96P20 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MMP1 P03956 2/20 0.43
▸ MMP2 P08253 2/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ THRB P10828 1/20 0.41

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
SCHEMBL17848304 0.94 PPARG (0.52) PPARGUSP2NLRP3KMT2AHPGD
SCHEMBL17848307 0.94 PPARG (0.52) PPARGUSP2NLRP3KMT2AHPGD
SCHEMBL17848187 0.92 PPARG (0.62) PPARGUSP2SMN1; SMN2
SCHEMBL17848189 0.92 PPARG (0.62) PPARGUSP2SMN1; SMN2
SCHEMBL17848273 0.89 PPARG (0.46) PPARGUSP2NLRP3KMT2AMEN1
SCHEMBL17848245 0.89 PPARG (0.46) PPARGUSP2NLRP3KMT2AMEN1
SCHEMBL17859159 0.88 PPARG (0.60) PPARGNLRP3SMN1; SMN2
SCHEMBL17821305 0.88 PPARG (0.48) PPARGUSP2KMT2AMEN1SMN1; SMN2
SCHEMBL17821303 0.88 PPARG (0.48) PPARGUSP2KMT2AMEN1SMN1; SMN2
SCHEMBL17848301 0.85 PPARG (0.53) PPARGUSP2KMT2AHPGDMMP1

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
WO-2016099452-A1 RAS-INHIBITING INDENYL ACETAMIDE COMPOUNDS, COMPOSITIONS, AND USES ADT PHARMACEUTICALS, INC. (US) 2016-06-23 — — WO disclosed
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