SCHEMBL1935283

SCHEMBL1935283

CCCCCCCCCCCCCCCCCCc1cc(C(=O)O)ccc1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
RARB P10826 5/20 0.48
PLA2G4B P0C869 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RARA P10276 1/20 0.48
MAPT P10636 1/20 0.48
MTOR P42345 1/20 0.48
KMT2A Q03164 1/20 0.48
PLA2G4A P47712 2/20 0.48
PLA2G2D Q9UNK4 1/20 0.46
PTPN11 Q06124 1/20 0.46

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
SCHEMBL5072219 0.92 KDM4E (0.53) PPARAPPARGMEN1ALDH1A1MAPT
SCHEMBL7064779 0.92 KDM4E (0.53) PPARAPPARGMEN1ALDH1A1MAPT
SCHEMBL1935282 0.92 KDM4E (0.53) PPARAPPARGMEN1ALDH1A1MAPT
SCHEMBL3517818 0.92 KDM4E (0.53) PPARAPPARGMEN1ALDH1A1MAPT
SCHEMBL28881046 0.88 KDM4E (0.48) PPARAPPARGTSHRALDH1A1MAPT
SCHEMBL7262506 0.88 PPARA (0.56) PPARAPPARGTP53TSHRRARB
SCHEMBL3459040 0.88 PPARA (0.56) PPARAPPARGTP53TSHRRARB
SCHEMBL7271225 0.88 PPARA (0.56) PPARAPPARGTP53TSHRRARB
SCHEMBL8516008 0.88 PPARA (0.56) PPARAPPARGTP53TSHRRARB
SCHEMBL8515505 0.88 PPARA (0.56) PPARAPPARGTP53TSHRRARB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331665-B1 GREASE COMPOSITION SHELL INT RESEARCH (NL) 2018-02-14 EP disclosed
US-9096813-B2 Grease composition SHELL OIL COMPANY (US) 2015-08-04 US disclosed
US-20110195880-A1 GREASE COMPOSITION SHELL USA, INC. 2011-08-11 US disclosed
EP-2331665-A1 GREASE COMPOSITION Shell Internationale Research Maatschappij B.V. (NL) 2011-06-15 EP disclosed
WO-2010037746-A1 GREASE COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2010-04-08 WO disclosed