SCHEMBL18555201

SCHEMBL18555201

CC(C)(C)OC(=O)NC(COCCCOCc1ccccc1)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.78
PPARG P37231 4/20 0.71
CTSS P25774 3/20 0.64
ACE P12821 1/20 0.54
KLK7 P49862 2/20 0.53
KLK5 Q9Y337 2/20 0.53
PTPN1 P18031 4/20 0.50
CDC25B P30305 4/20 0.50
PTPN2 P17706 3/20 0.50
PPARD Q03181 2/20 0.50
CDC25A P30304 2/20 0.50
CTSK P43235 2/20 0.50
PTPN6 P29350 1/20 0.50
PTPN11 Q06124 1/20 0.50
FOLH1 Q04609 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL18555200 1.00 PPARA (0.78) PPARAPPARGCTSSACEKLK7
SCHEMBL20899650 0.95 PPARA (0.82) PPARAPPARGCTSSACEKLK7
SCHEMBL828674 0.92 PPARA (0.90) PPARAPPARGCTSSACEKLK7
SCHEMBL1132901 0.92 PPARA (0.90) PPARAPPARGCTSSACEKLK7
SCHEMBL17051 0.92 PPARA (0.90) PPARAPPARGCTSSACEKLK7
SCHEMBL18556225 0.92 PPARA (0.67) PPARAPPARGCTSSACEKLK7
SCHEMBL18556226 0.92 PPARA (0.67) PPARAPPARGCTSSACEKLK7
SCHEMBL7442052 0.90 PPARA (0.71) PPARAPPARGCTSSACEPPARD
SCHEMBL7405992 0.90 PPARA (0.71) PPARAPPARGCTSSACEPPARD
SCHEMBL27897229 0.90 PPARA (0.71) PPARAPPARGCTSSACEPPARD

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-2017035417-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed