SCHEMBL28618158

SCHEMBL28618158

CCCCCCCCC1CCC(CCCCCCCCN=C=O)CC1CC

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
NAAA Q02083 1/20 0.33
TP53 P04637 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL10883546 0.94 ALOX5 (0.39) ALOX5NAAATP53MEN1HTT
SCHEMBL6430891 0.94 ALOX5 (0.39) ALOX5NAAATP53MEN1HTT
SCHEMBL7706853 0.82 CYP1A2 (0.38) NAAATP53MEN1HTTKMT2A
SCHEMBL23610185 0.81 ALOX5 (0.50) ALOX5NAAAMEN1KMT2ACYP1A2
SCHEMBL191084 0.80 NAAA (0.39) ALOX5NAAACHRNB2CHRNA7CHRNA4
SCHEMBL502986 0.80 NAAA (0.39) ALOX5NAAACHRNB2CHRNA7CHRNA4
SCHEMBL29206937 0.80 NAAA (0.39) ALOX5NAAACHRNB2CHRNA7CHRNA4
SCHEMBL14503155 0.80 NAAA (0.39) ALOX5NAAACHRNB2CHRNA7CHRNA4
SCHEMBL3794195 0.77
SCHEMBL31231268 0.76 NAAA (0.36) ALOX5NAAA

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-108350139-B Aqueous base coating comprising a cross-linked polyurethane binder and a specific solvent composition 巴斯夫涂料有限公司 2021-08-10 CN disclosed