SCHEMBL9980601

SCHEMBL9980601

CCCCC[C](CCCCC)C(CCC)(CCCCC)CCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.39
CES2 O00748 4/20 0.39
CES1 P23141 4/20 0.39
SMPD1 P17405 2/20 0.38
AKR1B1 P15121 1/20 0.37
FAAH O00519 1/20 0.37
GPR84 Q9NQS5 6/20 0.36
PPARG P37231 6/20 0.36
PPARD Q03181 6/20 0.36
PPARA Q07869 6/20 0.36
HDAC11 Q96DB2 5/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 2/20 0.36
TLR2 O60603 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
FABP4 P15090 2/20 0.36
PTPN1 P18031 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL17239408 0.96 SMPD1 (0.39) FDPSCES2CES1SMPD1FAAH
SCHEMBL7946938 0.93 CES2 (0.44) FDPSCES2CES1SMPD1FAAH
SCHEMBL1758483 0.93 CES2 (0.44) FDPSCES2CES1SMPD1FAAH
SCHEMBL9129289 0.93 CES2 (0.44) FDPSCES2CES1SMPD1FAAH
SCHEMBL20577197 0.93 CES2 (0.44) FDPSCES2CES1SMPD1FAAH
SCHEMBL1841613 0.93 CES2 (0.44) FDPSCES2CES1SMPD1FAAH
SCHEMBL4842442 0.93 CES2 (0.44) FDPSCES2CES1SMPD1FAAH
SCHEMBL11115222 0.93 CES2 (0.44) FDPSCES2CES1SMPD1FAAH
SCHEMBL7821873 0.92 SMPD1 (0.37) FDPSCES2CES1SMPD1FAAH
SCHEMBL8412528 0.91 CES2 (0.42) FDPSCES2CES1SMPD1FAAH

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-2011149778-A1 SYNTHETIC OLIGOSACCHARIDES FOR NEISSERIA MENINGITIS VACCINE ANCORA PHARMACEUTICALS INC. (US) 2011-12-01 WO disclosed