SCHEMBL28292020

SCHEMBL28292020

CCCCCCCCCCCCOC(=O)CC(S)CCCCCCCCCCCC.[Zn]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.55
NPSR1 Q6W5P4 2/20 0.47
RAD52 P43351 1/20 0.47
FAAH O00519 2/20 0.46
DGKA P23743 1/20 0.46
HTR2C P28335 1/20 0.45
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX1 P07099 1/20 0.43
TSHR P16473 2/20 0.42
ZDHHC7 Q9NXF8 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
GPR84 Q9NQS5 2/20 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
SCHEMBL10714337 0.98 NAAA (0.56) NAAANPSR1RAD52FAAHDGKA
SCHEMBL3700160 0.98 NAAA (0.56) NAAANPSR1RAD52FAAHDGKA
SCHEMBL14659962 0.95 NAAA (0.52) NAAANPSR1RAD52FAAHDGKA
Propionic Acid SCHEMBL27261256 0.92 NAAA (0.54) NAAANPSR1RAD52FAAHDGKA
SCHEMBL13080211 0.92 NAAA (0.56) NAAANPSR1RAD52FAAHDGKA
SCHEMBL16688137 0.89 NAAA (0.53) NAAANPSR1RAD52FAAHDGKA
SCHEMBL16688139 0.89 NAAA (0.53) NAAANPSR1RAD52FAAHDGKA
SCHEMBL16688141 0.89 NAAA (0.53) NAAANPSR1RAD52FAAHDGKA
SCHEMBL16688143 0.89 NAAA (0.53) NAAANPSR1RAD52FAAHDGKA
SCHEMBL3643727 0.88 NAAA (0.46) NAAANPSR1RAD52FAAHDGKA

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-109610043-A A kind of super fine denier flexibility fibrous material and preparation method 四川安费尔高分子材料科技有限公司 2019-04-12 CN disclosed