Cyclohexane

Cyclohexane

SCHEMBL27452018

C1CCCCC1.CCCC(=O)OC(C)C

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP2D6 P10635 1/20 0.37
NOTUM Q6P988 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
GAA P10253 1/20 0.36
EPHX2 P34913 1/20 0.36
NAAA Q02083 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL120124 0.93
SCHEMBL30366016 0.93 LMNA (0.68) LMNAALDH1A1TSHRMAPTMAPK1
Hydrochloric Acid SCHEMBL10792640 0.91 LMNA (0.65) LMNAALDH1A1TSHRMAPTMAPK1
Acetone SCHEMBL2960216 0.88 LMNA (0.63) LMNAALDH1A1TSHRMAPTMAPK1
Chloroform SCHEMBL4677155 0.86 LMNA (0.61) LMNAALDH1A1TSHRMAPTMAPK1
Ether SCHEMBL10839845 0.84 LMNA (0.59) LMNAALDH1A1TSHRMAPTMAPK1
Butyric Acid SCHEMBL28683379 0.84 LMNA (0.59) LMNAALDH1A1TSHR
Carbamic Acid SCHEMBL27876791 0.84 LMNA (0.59) LMNAALDH1A1TSHRMAPTMAPK1
Butane SCHEMBL20558824 0.83 LMNA (0.68) LMNAALDH1A1TSHRMAPTMAPK1
Acetic Acid Methyl Ester SCHEMBL11403378 0.83 LMNA (0.57) LMNAALDH1A1TSHRMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1824315-B Synergistic therapeutic compositions and methods PFIZER 2011-01-12 CN disclosed
CN-101156949-A Synergistic therapeutic compositions of angiotensin i converting enzyme inhibitors and angiotensin ii antagonists and methods PFIZER (US) 2008-04-09 CN disclosed
CN-100358578-C Process for preparing synergistic composition PFIZER (US) 2008-01-02 CN disclosed
CN-1915428-A Synergistic therapeutic compositions and methods PFIZER (US) 2007-02-21 CN disclosed
CN-1879884-A Synergistic therapeutic compositions and methods PFIZER (US) 2006-12-20 CN disclosed
CN-1824315-A Synergistic therapeutic compositions and methods PFIZER (US) 2006-08-30 CN disclosed
CN-1502370-A Synergistic therapeutic compositions and methods 2004-06-09 CN disclosed
CN-1307901-A Synergistic therapeutic compositions and methods PFIZER (US) 2001-08-15 CN disclosed
CN-1065140-C Synergistic therapeutic compositions and methods PFIZER (US) 2001-05-02 CN disclosed
CN-1056426-A Synergistic therapeutic compositions and methods PFIZER (US) 1991-11-27 CN disclosed