SCHEMBL6933653

SCHEMBL6933653

CC=C(CCCCCCC/C=C\CCCCCCCC)OC(=CC)CCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.55
PTPN1 P18031 3/20 0.55
PPARG P37231 3/20 0.55
PPARD Q03181 3/20 0.55
PPARA Q07869 3/20 0.55
FAAH O00519 3/20 0.55
CYP1A2 P05177 2/20 0.55
MAPT P10636 2/20 0.55
CYP2C19 P33261 2/20 0.55
BLM P54132 2/20 0.55
HSD17B10 Q99714 2/20 0.55
FABP4 P15090 2/20 0.55
KMT2A Q03164 2/20 0.55
DUSP3 P51452 2/20 0.55
GMNN O75496 1/20 0.55
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55

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
SCHEMBL28006135 0.89 CES2 (0.44) PTPN1PPARGPPARDPPARAHSD17B10
SCHEMBL9019586 0.89 CES2 (0.44) PTPN1PPARGPPARDPPARAHSD17B10
SCHEMBL4645612 0.89 CES2 (0.44) PTPN1PPARGPPARDPPARAHSD17B10
SCHEMBL23213954 0.89 CES2 (0.44) PTPN1PPARGPPARDPPARAHSD17B10
SCHEMBL845324 0.89 CES2 (0.44) PTPN1PPARGPPARDPPARAHSD17B10
SCHEMBL23213958 0.89 CES2 (0.44) PTPN1PPARGPPARDPPARAHSD17B10
SCHEMBL9019580 0.89 CES2 (0.44) PTPN1PPARGPPARDPPARAHSD17B10
SCHEMBL4645615 0.89 CES2 (0.44) PTPN1PPARGPPARDPPARAHSD17B10
SCHEMBL845323 0.89 CES2 (0.44) PTPN1PPARGPPARDPPARAHSD17B10
SCHEMBL12799601 0.86 TERT (0.53) TERTPTPN1PPARGPPARDPPARA

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
CN-101842090-A Topical composition for treating pain XVASIVE INC 2010-09-22 CN disclosed
EP-0852140-B1 METHODS FOR MAKING HARDLY SOLUBLE MEDICINE AMORPHOUS NISSAN CHEMICAL IND LTD (JP) 2003-12-03 EP disclosed
EP-1356807-A2 Method for converting sparingly water-soluble medical substance to amorphous state NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2003-10-29 EP disclosed
US-6462093-B1 Method for converting sparingly water-soluble medical substance to amorphous state NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-08 US disclosed
EP-0852140-A1 METHODS FOR MAKING HARDLY SOLUBLE MEDICINE AMORPHOUS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-07-08 EP disclosed