Dodecanol

Dodecanol

SCHEMBL5667394

CCCCCCCCCCCCO.CCOC(=O)C(C)N(C)C

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
ACHE P22303 6/20 0.39
MAPT P10636 1/20 0.38
CNR1 P21554 1/20 0.37
DNM1 Q05193 1/20 0.37

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
SCHEMBL196972 0.83 ALDH1A1 (0.43) LMNAALDH1A1HSD17B10MAPT
SCHEMBL196971 0.83 ALDH1A1 (0.43) LMNAALDH1A1HSD17B10MAPT
SCHEMBL15305328 0.80 NAAA (0.52) LMNAALDH1A1TSHRACHEDNM1
SCHEMBL15305326 0.80 NAAA (0.52) LMNAALDH1A1TSHRACHEDNM1
Dodecanol SCHEMBL28520384 0.80 TSHR (0.50) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL15796319 0.80 NAAA (0.52) LMNAALDH1A1TSHRACHEDNM1
SCHEMBL15796587 0.80 NAAA (0.52) LMNAALDH1A1TSHRACHEDNM1
SCHEMBL453610 0.80 NAAA (0.52) LMNAALDH1A1TSHRACHEDNM1
SCHEMBL21184186 0.80 NAAA (0.52) LMNAALDH1A1TSHRACHEDNM1
SCHEMBL138880 0.80 NAAA (0.52) LMNAALDH1A1TSHRACHEDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1837187-A Crystalline salts of dodecyl 2-(n,n-dimethylamino)-propionate NEXMED HOLDINGS INC (US) 2006-09-27 CN disclosed
EP-1278495-A4 TOPICAL COMPOSITIONS CONTAINING PROSTAGLANDIN E 1? NEXMED HOLDINGS INC (US) 2006-03-22 EP disclosed
CN-1244546-C Crystalline salts of dodecyl 2- (N, N-dimethylamino) -propionate NEXMED HOLDINGS INC (US) 2006-03-08 CN disclosed
CN-1733706-A Crystalline salts of dodecyl 2-(n,n-dimethylamino)-propionate NEXMED HOLDINGS INC (US) 2006-02-15 CN disclosed
EP-1278495-A1 TOPICAL COMPOSITIONS CONTAINING PROSTAGLANDIN E 1? Nexmed Holdings, Inc. (US) 2003-01-29 EP disclosed
WO-2001074279-A1 TOPICAL COMPOSITIONS CONTAINING PROSTAGLANDIN E¿1? NEXMED HOLDINGS, INC. (US) 2001-10-11 WO disclosed
CN-1306502-A Crystalline salts of dodecyl 2- (N, N-dimethylamino) -propionate NEXMED HOLDINGS INC (US) 2001-08-01 CN disclosed