SCHEMBL7091843

SCHEMBL7091843

C1=C(N2CCOCC2)CCCCCCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PSMB5 P28074 1/20 0.39
ALDH1A1 P00352 8/20 0.37
LMNA P02545 7/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PRKDC P78527 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7091842 1.00 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19PSMB5
SCHEMBL7091840 1.00 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19PSMB5
SCHEMBL11746869 1.00 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19PSMB5
SCHEMBL1637792 1.00 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19PSMB5
SCHEMBL11751485 1.00 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19PSMB5
SCHEMBL10738006 1.00 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19PSMB5
SCHEMBL10738011 1.00 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19PSMB5
SCHEMBL7143361 1.00 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19PSMB5
SCHEMBL150625 0.98 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19PSMB5
SCHEMBL497792 0.92 LMNA (0.39) CYP1A2CYP2D6CYP2C9CYP2C19PSMB5

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711746-A1 Process for preparing hydroxycarboxylic acids UNILEVER PLC (GB) 1996-05-15 EP claimed
US-5502226-A SELECTIVE REDUCTION OF DIKETONE TO KETO ACIDS USING HYDROGEN IN THE PRESENCE OF BASE ELIZABETH ARDEN CO., DIVISION OF CONOPCO, INC. (US) 1996-03-26 US claimed
US-4452632-A Method for the application of triacontanol to soybeans to achieve a substantial increase in yield THE GOODYEAR TIRE & RUBBER COMPANY (US) 1984-06-05 US claimed
US-4367346-A Method for synthesis of long-chain alcohols THE GOODYEAR TIRE & RUBBER COMPANY (US) 1983-01-04 US claimed
EP-0064021-A1 Method for synthesis of long-chain carboxylic acids and alcohols THE GOODYEAR TIRE & RUBBER COMPANY (US) 1982-11-03 EP claimed
JP-61112037-A None JP disclosed
CN-100545137-C A kind of preparation method of octacosanol UNIV XUZHOU NORMAL (CN) 2009-09-30 CN disclosed
CN-1861551-A Preparation process of octacool XUZHOU NORMAL UNIV (CN) 2006-11-15 CN disclosed
EP-1358170-A1 PROCESS FOR PREPARING HIGHER PRIMARY ALKANOLS Cilag AG (CH) 2003-11-05 EP disclosed
EP-0725772-B1 PHYTOSPHINGOSINE-BASED CERAMIDE I ANALOGS COSMOFERM BV (NL) 2003-08-20 EP disclosed
WO-2002059101-A1 PROCESS FOR PREPARING HIGHER PRIMARY ALKANOLS CILAG AG (CH) 2002-08-01 WO disclosed
US-6054599-A DRUGS, COSMETICS; SKIN DISORDERS DSM N.V. (NL) 2000-04-25 US disclosed
JP-S61112037-A PRODUCTION OF 1-TRIACONTANOL TEIJIN LTD 1986-05-30 JP disclosed
EP-0064021-B1 METHOD FOR SYNTHESIS OF LONG-CHAIN CARBOXYLIC ACIDS AND ALCOHOLS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1985-09-25 EP disclosed
US-4495104-A PHARMACEUTICAL COMPOUNDS EFFECTIVE AGAINST HEART FAILURE, DERIODONTAL DISEASE, DIABETES; HYPOTENSIVE AND ANTIANAPHYLACTIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-01-22 US disclosed
EP-0021841-B1 2,3-DIALKOXY-1,4-QUINONE DERIVATIVES; METHOD OF PRODUCING 1,4-QUINONE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 1984-10-24 EP disclosed
US-4452632-A Method for the application of triacontanol to soybeans to achieve a substantial increase in yield THE GOODYEAR TIRE & RUBBER COMPANY (US) 1984-06-05 US disclosed
US-4367346-A Method for synthesis of long-chain alcohols THE GOODYEAR TIRE & RUBBER COMPANY (US) 1983-01-04 US disclosed
EP-0064021-A1 Method for synthesis of long-chain carboxylic acids and alcohols THE GOODYEAR TIRE & RUBBER COMPANY (US) 1982-11-03 EP disclosed
EP-0021841-A2 2,3-Dialkoxy-1,4-quinone derivatives; method of producing 1,4-quinone derivatives Takeda Chemical Industries, Ltd. (JP) 1981-01-07 EP disclosed