SCHEMBL11769413

SCHEMBL11769413

CCCCCCCCCOCCC(N)OC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.49
PLA2G2C Q5R387 6/20 0.45
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
ADRA1D P25100 1/20 0.40
PTAFR P25105 1/20 0.40
HTR1D P28221 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1B P35368 1/20 0.40
DRD3 P35462 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL5597178 1.00 CES2 (0.49) CES2PLA2G2CHTTMEN1THRB
SCHEMBL5490300 0.84 GRIK1 (0.49) MAPT
SCHEMBL3676331 0.84 GRIK1 (0.49) MAPT
SCHEMBL10985746 0.84 GRIK1 (0.49) MAPT
SCHEMBL325396 0.84 GRIK1 (0.49) MAPT
SCHEMBL66570 0.84 GRIK1 (0.49) MAPT
SCHEMBL5495673 0.84 GRIK1 (0.49) MAPT
SCHEMBL133143 0.84 GRIK1 (0.49) MAPT
SCHEMBL5494791 0.84 GRIK1 (0.49) MAPT
SCHEMBL609942 0.84 GRIK1 (0.49) MAPT

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
US-3960715-A SILICIOUS IRON ORE, METAL COMPOUND THE HANNA MINING COMPANY (US) 1976-06-01 US disclosed