SCHEMBL17812675

SCHEMBL17812675

CCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCCCCCCCCCCCC)(OC(=O)CCC)C(=O)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
DGKA P23743 1/20 0.46
HTR2C P28335 1/20 0.45
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FAAH O00519 2/20 0.43
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
EPHX1 P07099 1/20 0.40
DNM1 Q05193 1/20 0.40
TSHR P16473 2/20 0.39
HCAR2 Q8TDS4 1/20 0.37

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
SCHEMBL17812826 1.00 NAAA (0.50) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL317321 1.00 NAAA (0.50) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL17812815 1.00 NAAA (0.50) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL17812556 1.00 NAAA (0.50) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL17812688 1.00 NAAA (0.50) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL17812643 1.00 NAAA (0.50) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL17812568 1.00 NAAA (0.50) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL17812829 1.00 NAAA (0.50) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL2910006 0.98 NAAA (0.47) NAAADGKAHTR2CRAD52NPSR1
SCHEMBL13987812 0.94 DGKA (0.54) NAAADGKAHTR2CRAD52NPSR1

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-9365715-B2 Thermoplastic elastomer composition and method for the production thereof STYROLUTION EUROPE GMBH (DE) 2016-06-14 US disclosed