SCHEMBL29045683

SCHEMBL29045683

CCCCCCCCCCCCC1CC(=O)N(C2CCN(C(C)=O)C(C)(C)C2(C)C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ELANE P08246 1/20 0.32
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
POLB P06746 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
SCHEMBL5616789 0.84 CHRNB4 (0.33) CHRNB4CHRNA3ALDH1A1L3MBTL1
SCHEMBL9524915 0.76 CYP3A4 (0.33) CYP3A4CYP2C9CYP2C19ELANEALDH1A1
SCHEMBL29013817 0.76
SCHEMBL29049663 0.76
SCHEMBL78032 0.73 CYP3A4 (0.37) CYP3A4CYP2C9CYP2C19ELANEALDH1A1
SCHEMBL6275550 0.73 CYP3A4 (0.37) CYP3A4CYP2C9CYP2C19ELANEALDH1A1
SCHEMBL28551968 0.73 CYP3A4 (0.37) CYP3A4CYP2C9CYP2C19ELANEALDH1A1
SCHEMBL3080119 0.70 CYP19A1 (0.32) ALDH1A1L3MBTL1
SCHEMBL887218 0.70 ELANE (0.39) CHRNB4CHRNA3CYP3A4CYP2C9CYP2C19
SCHEMBL7795162 0.69 ALDH1A1 (0.33) CHRNB4CHRNA3ELANEALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117940222-A Method of applying a coating composition to a substrate 艾仕得涂料系统有限责任公司 2024-04-26 CN disclosed
CN-117631452-A Photosensitive paste, wiring pattern forming method, electronic component manufacturing method, and electronic component 株式会社村田制作所 2024-03-01 CN disclosed
CN-116535801-A Sulfonated polymers and compositions thereof 科腾聚合物荷兰有限责任公司 2023-08-04 CN disclosed
CN-116323188-A Antifouling coating composition 中国涂料株式会社 2023-06-23 CN disclosed