SCHEMBL29008686

SCHEMBL29008686

CCCCOC(=O)N(C)CCCI

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.41
ESR1 P03372 4/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
TSHR P16473 3/20 0.39
HPGD P15428 2/20 0.39
DNM1 Q05193 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
NAAA Q02083 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 2/20 0.36

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
SCHEMBL21939321 0.93 ALDH1A1 (0.39) ALDH1A1ATMESR1CHRNB2CHRNA4
SCHEMBL21842113 0.91 NAAA (0.39) ALDH1A1ATMESR1CHRNB2CHRNA4
SCHEMBL25565603 0.89 ALDH1A1 (0.50) ALDH1A1ATMESR1CHRNB2CHRNA4
SCHEMBL14138540 0.85 ALDH1A1 (0.50) ALDH1A1ATMESR1CHRNB2CHRNA4
SCHEMBL2870267 0.84 CHRNB2 (0.47) ALDH1A1ATMESR1CHRNB2CHRNA4
SCHEMBL11785064 0.83 NAAA (0.48) ALDH1A1ATMCHRNB2CHRNA4CHRNB4
SCHEMBL31113595 0.82 ALDH1A1 (0.44) ALDH1A1ATMESR1CHRNB2CHRNA4
SCHEMBL27900231 0.82 ALDH1A1 (0.44) ALDH1A1ATMESR1CHRNB2CHRNA4
SCHEMBL30353308 0.82 CHRNB2 (0.46) ALDH1A1ATMCHRNB2CHRNA4CHRNB4
SCHEMBL1650042 0.81 CHRNB2 (0.57) ALDH1A1ATMESR1CHRNB2CHRNA4

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-113702516-B Detection method of antibacterial and mildew-proof agent in bamboo and wood products 广东产品质量监督检验研究院(国家质量技术监督局广州电气安全检验所、广东省试验认证研究院、华安实验室) 2023-06-02 CN disclosed