Octadecylamine

Octadecylamine

SCHEMBL28778463

CC(C(=O)O)N(C)C.CCCCCCCCCCCCCCCCCCN

nearest known ligand 0.48

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
EPHX1 P07099 1/20 0.48
ACE2 Q9BYF1 1/20 0.42
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
CPB2 Q96IY4 1/20 0.41
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
SLC6A5 Q9Y345 1/20 0.40
MAPT P10636 1/20 0.40

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
Dodecylamine SCHEMBL27915642 1.00 DNM1 (0.48) DNM1MEN1KMT2AALDH1A1TSHR
Octadecylamine SCHEMBL28786915 0.92 GPR84 (0.44) DNM1MEN1KMT2AALDH1A1TSHR
Dectaflur SCHEMBL28795748 0.91 SLC6A5 (0.53) MEN1KMT2ASLC6A5MAPT
SCHEMBL28025488 0.90 ACE2 (0.48) MEN1KMT2AALDH1A1TSHRACE2
Dodecane SCHEMBL27603441 0.90 ACE2 (0.48) MEN1KMT2AALDH1A1TSHRACE2
Propylamine SCHEMBL27662088 0.86 GABRR1 (0.43) CPB2
Dodecanol SCHEMBL28520384 0.83 TSHR (0.50) MEN1KMT2AALDH1A1TSHRACE2
Decanol SCHEMBL27846465 0.83 TSHR (0.50) MEN1KMT2AALDH1A1TSHRACE2
Hexadecylamine SCHEMBL7894471 0.82 DNM1 (0.59) DNM1MEN1KMT2AALDH1A1TSHR
Ethylamine SCHEMBL28806773 0.82 GABRR1 (0.41)

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-100463923-C P-acetyl amino benzoyl chitosan compound and its preparing method CHINA OCEANOGRAPHIC UNIV (CN) 2009-02-25 CN disclosed