SCHEMBL28783183

SCHEMBL28783183

CCCCN(CCCC)Cc1ccc(C)cc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.69
▸ KCNH2 Q12809 4/20 0.56
▸ HRH3 Q9Y5N1 1/20 0.55
▸ BCHE P06276 1/20 0.47
▸ MCHR1 Q99705 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL12203962 0.92 KCNH2 (0.61) MAPTKCNH2HRH3
Hydrochloric Acid SCHEMBL29170596 0.90 MAPT (0.58) MAPTKCNH2HRH3MCHR1
SCHEMBL11873184 0.88 KCNH2 (0.58) MAPTKCNH2MCHR1
SCHEMBL11872128 0.88 KCNH2 (0.58) MAPTKCNH2MCHR1
SCHEMBL20287494 0.87 HRH3 (0.72) MAPTKCNH2HRH3BCHE
SCHEMBL16421915 0.85 MAPT (0.71) MAPTHRH3BCHEKDM4EALDH1A1
SCHEMBL7130261 0.85 MAPT (0.70) MAPTKCNH2HRH3
SCHEMBL20871049 0.84 MAPT (0.51) MAPTKCNH2HRH3BCHEMCHR1
SCHEMBL7120513 0.83 MAPT (0.68) MAPTKCNH2HRH3
SCHEMBL15161688 0.83 HRH3 (0.65) MAPTKCNH2HRH3

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-114606042-A Anti-rust oil and preparation method and application thereof 中国科学院兰州化学物理研究所 2022-06-10 — — CN disclosed
Send feedback