SCHEMBL3885142

SCHEMBL3885142

CC[CH]CC(C)CCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 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
ACE2 Q9BYF1 1/20 0.41
CA1 P00915 2/20 0.35
SPHK1 Q9NYA1 1/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.34
DNM1 Q05193 2/20 0.33
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCI P41743 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 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
SCHEMBL2967052 0.98 ADH1B (0.45) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL14812198 0.98 ADH1B (0.45) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL28100159 0.98 ADH1B (0.45) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL3334444 0.93 DNM1 (0.35) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL11314110 0.88 OPRM1 (0.44) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL19284303 0.82 DNM1 (0.38) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL56670 0.82
SCHEMBL11615494 0.82 ADH1B (0.44) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL10596634 0.82 ADH1B (0.44) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL22471830 0.82 ADH1B (0.44) OPRM1ADH1BADH1CADH1AADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149584-A1 USE OF HEXAHYDROPHTHALIMIDE COMBINATIONS AS SOFTENER BASF AKTIENGESELLSCHAFT (DE) 2009-06-11 US disclosed
CN-101426843-A Use of hexahydrophthalimide combinations as softener BASF SE (DE) 2009-05-06 CN disclosed
EP-2013278-A1 USE OF HEXAHYDROPHTHALIMIDE COMBINATIONS AS SOFTENER BASF SE (DE) 2009-01-14 EP disclosed
WO-2008006834-A2 USE OF IMIDAZOLE COMPOUNDS AS PLASTICISERS BASF SE (DE) 2008-01-17 WO disclosed
WO-2007122204-A1 USE OF HEXAHYDROPHTHALIMIDE COMBINATIONS AS SOFTENER BASF SE (DE) 2007-11-01 WO disclosed
EP-0033928-B1 USE OF ALKYL-SUBSTITUTED 1,3-DIOXOLANES AS PERFUMES, AND PERFUME COMPOSITIONS CONTAINING THEM Henkel Kommanditgesellschaft auf Aktien (DE) 1985-05-08 EP disclosed
US-4435315-A COSMETICS, DETERGENTS HENKEL KOMMANDITGESELLSCHAFT AUF ATKIEN (DE) 1984-03-06 US disclosed
EP-0033928-A2 Use of alkyl-substituted 1,3-dioxolanes as perfumes, and perfume compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-08-19 EP disclosed