SCHEMBL9543389

SCHEMBL9543389

CC(OCc1ccc(Cl)cc1)C(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.51
▸ PPARG P37231 5/20 0.51
▸ TRPA1 O75762 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CACNA1B Q00975 1/20 0.47
▸ PTPN1 P18031 4/20 0.45
▸ CDC25B P30305 4/20 0.45
▸ PTPN2 P17706 2/20 0.45
▸ CDC25A P30304 2/20 0.45
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ GRN P28799 1/20 0.41
▸ SORT1 Q99523 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 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
SCHEMBL4687047 1.00 PPARA (0.51) PPARAPPARGTRPA1GAACACNA1B
SCHEMBL12055688 0.89 PPARA (0.55) PPARAPPARGPTPN1CDC25BPTPN2
SCHEMBL1414711 0.89 PPARA (0.55) PPARAPPARGPTPN1CDC25BPTPN2
SCHEMBL1414710 0.89 PPARA (0.55) PPARAPPARGPTPN1CDC25BPTPN2
SCHEMBL2212074 0.89 PPARA (0.55) PPARAPPARGPTPN1CDC25BPTPN2
SCHEMBL12018371 0.89 PPARA (0.55) PPARAPPARGPTPN1CDC25BPTPN2
SCHEMBL3449019 0.89 PPARA (0.55) PPARAPPARGPTPN1CDC25BPTPN2
SCHEMBL400186 0.89 PPARA (0.55) PPARAPPARGPTPN1CDC25BPTPN2
SCHEMBL400187 0.89 PPARA (0.55) PPARAPPARGPTPN1CDC25BPTPN2
SCHEMBL24812940 0.88 CTSS (0.50) PPARAPPARGPTPN1CDC25BPTPN2

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-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 — — WO disclosed
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