SCHEMBL4559147

SCHEMBL4559147

C=CCC1CCCC(CC=C)C1O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
PRSS1 P07477 2/20 0.32
CTRC Q99895 2/20 0.32
F2 P00734 1/20 0.32
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
NOS3 P29474 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL6402678 0.90 MEN1 (0.36) MEN1ALDH1A1KMT2ACHRNB2CHRNB4
SCHEMBL2895289 0.83
SCHEMBL1074008 0.83
SCHEMBL1259162 0.83
SCHEMBL178594 0.83
SCHEMBL23670831 0.83
SCHEMBL21122609 0.82 MEN1 (0.38) MEN1ALDH1A1KMT2APRSS1CTRC
SCHEMBL5831802 0.78 NOS1 (0.39) MEN1ALDH1A1KMT2APRSS1CTRC
SCHEMBL28755839 0.78 NOS1 (0.39) MEN1ALDH1A1KMT2APRSS1CTRC
SCHEMBL733245 0.78 CA1 (0.46) MEN1ALDH1A1KMT2ANOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805974-B1 EMULSIFYING AGENT FOR EMULSION POLYMERIZATION DAI ICHI KOGYO SEIYAKU CO LTD (JP) 2016-11-30 EP disclosed
EP-2805974-A1 EMULSIFYING AGENT FOR EMULSION POLYMERIZATION Dai-Ichi Kogyo Seiyaku Co., Ltd. (JP) 2014-11-26 EP disclosed
US-20090076306-A1 PROCESS FOR CONTINUOUS PREPARATION OF A PRIMARY AROMATIC AMINE BASF SE (DE) 2009-03-19 US disclosed
EP-0072988-B1 USE OF 1,3-DIALKYLCYCLOHEXANES AS COSMETICAL OIL COMPONENT Henkel Kommanditgesellschaft auf Aktien (DE) 1985-10-02 EP disclosed
US-4457944-A REFATTING OILS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1984-07-03 US disclosed
EP-0072988-A1 Use of 1,3-Dialkylcyclohexanes as cosmetical oil component Henkel Kommanditgesellschaft auf Aktien (DE) 1983-03-02 EP disclosed