SCHEMBL3335405

SCHEMBL3335405

CCCCCCC[CH]CCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH4 P08319 1/20 0.42
ADH7 P40394 1/20 0.42
DNM1 Q05193 5/20 0.39
THRB P10828 1/20 0.38
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
OPRM1 P35372 1/20 0.37
CNR1 P21554 2/20 0.37
SPHK1 Q9NYA1 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL2712523 1.00 TSHR (0.42) TSHRADH1BADH1CADH1AADH4
SCHEMBL14759069 1.00 TSHR (0.42) TSHRADH1BADH1CADH1AADH4
SCHEMBL1683289 1.00 TSHR (0.42) TSHRADH1BADH1CADH1AADH4
SCHEMBL8868706 1.00 TSHR (0.42) TSHRADH1BADH1CADH1AADH4
SCHEMBL1130661 0.98 ADH1B (0.39) TSHRADH1BADH1CADH1AADH4
SCHEMBL7923014 0.91 ADH1B (0.47) TSHRADH1BADH1CADH1AADH4
SCHEMBL8411738 0.91 ADH1B (0.47) TSHRADH1BADH1CADH1AADH4
SCHEMBL9579563 0.91 ADH1B (0.47) TSHRADH1BADH1CADH1AADH4
SCHEMBL19252728 0.91 ADH1B (0.47) TSHRADH1BADH1CADH1AADH4
SCHEMBL2690910 0.91 TSHR (0.42) TSHRADH1BADH1CADH1AADH4

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
US-20130074398-A1 AVIATION FUEL BROCK-NANNESTAD THEIS (DK) 2013-03-28 US disclosed
US-20100143273-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE APROTIC HYDROCARBON-BASED VOLATILE SOLVENT L'OREAL S.A. (FR) 2010-06-10 US disclosed
EP-2083789-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE APROTIC HYDROCARBON-BASED VOLATILE SOLVENT L'Oréal (FR) 2009-08-05 EP disclosed
WO-2008061985-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE APROTIC HYDROCARBON-BASED VOLATILE SOLVENT L'OREAL (FR) 2008-05-29 WO disclosed
US-5418128-A Surfactant mixture for uniform coating EASTMAN KODAK COMPANY (US) 1995-05-23 US disclosed
EP-0482084-A1 (1,2N) AND (3,2N)-CARBOCYCLIC-2-AMINO TETRALIN DERIVATIVES. UPJOHN CO (US) 1992-04-29 EP disclosed
WO-1991000856-A2 (1,2N) AND (3,2N)-CARBOCYCLIC-2-AMINO TETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1991-01-24 WO disclosed