SCHEMBL28446535

SCHEMBL28446535

CC(C)CCCCCCCCCCCCCCOC(=O)CCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
DGKA P23743 1/20 0.44
HTR2C P28335 1/20 0.43
RARB P10826 1/20 0.41
CA1 P00915 2/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM4A O75164 1/20 0.39
PHF8 Q9UPP1 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
MAPT P10636 1/20 0.38
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL28452440 1.00 NAAA (0.44) NAAADGKAHTR2CRARBCA1
SCHEMBL28455937 1.00 NAAA (0.44) NAAADGKAHTR2CRARBCA1
SCHEMBL28448758 1.00 NAAA (0.44) NAAADGKAHTR2CRARBCA1
SCHEMBL28449415 1.00 NAAA (0.44) NAAADGKAHTR2CRARBCA1
SCHEMBL28460112 1.00 NAAA (0.44) NAAADGKAHTR2CRARBCA1
SCHEMBL28448751 1.00 NAAA (0.44) NAAADGKAHTR2CRARBCA1
SCHEMBL17812698 0.94 HTR2C (0.49) NAAADGKAHTR2CRARBPRSS1
SCHEMBL332940 0.94 HTR2C (0.49) NAAADGKAHTR2CRARBPRSS1
SCHEMBL17812816 0.94 HTR2C (0.49) NAAADGKAHTR2CRARBPRSS1
SCHEMBL15543570 0.94 HTR2C (0.49) NAAADGKAHTR2CRARBPRSS1

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
CN-111647975-A Novel spandex oil agent and spandex obtained through treatment of novel spandex oil agent 烟台锐泽化学品有限公司 2020-09-11 CN disclosed