Hexadecane

Hexadecane

SCHEMBL28111916

CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)N(C)C(C)(C)C2)C1=O.CCCCCCCCCCCCCCCC.O=C1CCC(=O)N1

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP19A1 P11511 5/20 0.31
ALOX5 P09917 2/20 0.30

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
SCHEMBL3224833 0.93 CYP3A4 (0.33) ALDH1A1L3MBTL1CYP19A1
SCHEMBL38982 0.93 CYP3A4 (0.33) ALDH1A1L3MBTL1CYP19A1
SCHEMBL3798470 0.93 CYP3A4 (0.33) ALDH1A1L3MBTL1CYP19A1
SCHEMBL27560805 0.93 CYP3A4 (0.33) ALDH1A1L3MBTL1CYP19A1
Hexadecane SCHEMBL28128441 0.93 CYP3A4 (0.33) ALDH1A1L3MBTL1CYP19A1
SCHEMBL6050499 0.89 MAPK1 (0.32) ALDH1A1L3MBTL1CYP19A1
SCHEMBL14394412 0.85 CYP19A1 (0.31) CYP19A1
SCHEMBL316918 0.82 PPARG (0.34) ALDH1A1L3MBTL1CYP19A1
SCHEMBL7002942 0.81
SCHEMBL11125187 0.81 ALDH1A1 (0.35) ALDH1A1L3MBTL1CYP19A1

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-106471049-A Resist the stable compositionss of ultraviolet light and thermal degradation for stabilization material 塞特工业公司 2017-03-01 CN disclosed