Cyclohexane

Cyclohexane

SCHEMBL3470513

C1CCCCC1.NC[C@H]1CC[C@H](CN)CC1

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.50
PLAT P00750 1/20 0.50
LMNA P02545 1/20 0.50
NCF1 P14598 1/20 0.48
CYP2D6 P10635 1/20 0.44
SIGMAR1 Q99720 1/20 0.38
EPHX1 P07099 1/20 0.36
TP53 P04637 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
Cyclopropane SCHEMBL10383604 1.00
Cyclohexane SCHEMBL5461183 1.00 PLG (0.50) PLGPLATLMNANCF1CYP2D6
SCHEMBL23022343 0.93 CYP2D6 (0.52) PLGPLATLMNANCF1CYP2D6
SCHEMBL23022333 0.93 CYP2D6 (0.52) PLGPLATLMNANCF1CYP2D6
SCHEMBL48375 0.92 PLG (0.55) PLGPLATLMNANCF1CYP2D6
SCHEMBL6802 0.92
SCHEMBL432248 0.92 PLG (0.55) PLGPLATLMNANCF1CYP2D6
SCHEMBL1703765 0.92 PLG (0.55) PLGPLATLMNANCF1CYP2D6
SCHEMBL14417464 0.89 CYP2D6 (0.54) PLGPLATLMNANCF1CYP2D6
SCHEMBL13893972 0.89 CYP2D6 (0.54) PLGPLATLMNANCF1CYP2D6

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
EP-1558659-B1 POLYURETHANE DISPERSION AND ARTICLES PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES LLC (US) 2013-01-09 EP disclosed
US-8236922-B2 Polyamide polymer DOW GLOBAL TECHNOLOGIES LLC (US) 2012-08-07 US disclosed
US-20100029894-A1 POLYAMIDE POLYMER DOW GLOBAL TECHNOLOGIES LLC 2010-02-04 US disclosed
US-20070265388-A1 Polyurethane dispersion and articles prepared therefrom DOW GLOBAL TECHNOLOGIES INC. (US) 2007-11-15 US disclosed
US-7232859-B2 Polyurethane dispersion and articles prepared therefrom DOW GLOBAL TECHNOLOGIES INC. (US) 2007-06-19 US disclosed
US-20060058453-A1 Polyurethane dispersion and articles prepared therefrom UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2006-03-16 US disclosed
EP-1558659-A1 POLYURETHANE DISPERSION AND ARTICLES PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2005-08-03 EP disclosed
WO-2004041890-A1 POLYURETHANE DISPERSION AND ARTICLES PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2004-05-21 WO disclosed