SCHEMBL29286451

SCHEMBL29286451

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCNCC

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.66
CASP2 P42575 1/20 0.63
DNM1 Q05193 2/20 0.62
NAAA Q02083 1/20 0.59
EPHX2 P34913 3/20 0.55
SELP P16109 1/20 0.55
SLC6A5 Q9Y345 2/20 0.54
HSP90AA1 P07900 1/20 0.52
KDM4E B2RXH2 1/20 0.51
LPAR1 Q92633 1/20 0.51

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
SCHEMBL28005437 0.96 CASP2 (0.69) FAAHCASP2DNM1NAAAEPHX2
Sulfuric Acid SCHEMBL28883481 0.93 CASP2 (0.61) FAAHCASP2DNM1NAAAEPHX2
SCHEMBL6125853 0.93 CASP2 (0.69) FAAHCASP2DNM1NAAAEPHX2
SCHEMBL25395102 0.91 FAAH (0.68) FAAHCASP2DNM1NAAAEPHX2
SCHEMBL118565 0.91 FAAH (0.68) FAAHCASP2DNM1NAAAEPHX2
SCHEMBL24096028 0.91 FAAH (0.68) FAAHCASP2DNM1NAAAEPHX2
SCHEMBL20381652 0.91 FAAH (0.68) FAAHCASP2DNM1NAAAEPHX2
SCHEMBL24624954 0.91 FAAH (0.68) FAAHCASP2DNM1NAAAEPHX2
SCHEMBL4740424 0.91 FAAH (0.68) FAAHCASP2DNM1NAAAEPHX2
SCHEMBL25394345 0.91 FAAH (0.68) FAAHCASP2DNM1NAAAEPHX2

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-113271917-A Hair care and conditioning composition 莱雅公司 2021-08-17 CN disclosed