Cyclohexane

Cyclohexane

SCHEMBL9836640

C1CCCCC1.CCCCCCCCCCCCCCCCN(C)C.F

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 7/20 0.79
TSHR P16473 2/20 0.58
ALDH1A1 P00352 1/20 0.58
SIGMAR1 Q99720 1/20 0.50
THRB P10828 1/20 0.42
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38

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
Fluoride SCHEMBL27688543 0.92 DNM1 (0.94) DNM1TSHRALDH1A1SIGMAR1THRB
Fluoride SCHEMBL20497333 0.92 DNM1 (0.94) DNM1TSHRALDH1A1SIGMAR1THRB
Fluoride SCHEMBL9839839 0.92 DNM1 (0.94) DNM1TSHRALDH1A1SIGMAR1THRB
Fluoride SCHEMBL9450603 0.92 DNM1 (0.94) DNM1TSHRALDH1A1SIGMAR1THRB
Fluoride SCHEMBL17743529 0.92 DNM1 (0.94) DNM1TSHRALDH1A1SIGMAR1THRB
Fluoride SCHEMBL25238730 0.92 DNM1 (0.94) DNM1TSHRALDH1A1SIGMAR1THRB
SCHEMBL754512 0.89 DNM1 (1.00) DNM1TSHRALDH1A1SIGMAR1THRB
SCHEMBL284680 0.89 DNM1 (1.00) DNM1TSHRALDH1A1SIGMAR1THRB
Dymanthine SCHEMBL61784 0.89 DNM1 (1.00) DNM1TSHRALDH1A1SIGMAR1THRB
SCHEMBL9436929 0.89 DNM1 (1.00) DNM1TSHRALDH1A1SIGMAR1THRB

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
EP-0297213-B1 ORAL TREATMENT AND USE OF AN ORAL COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1991-02-20 EP disclosed
EP-0395117-A2 Oral treatment and manufacture of an oral composition THE PROCTER & GAMBLE COMPANY (US) 1990-10-31 EP disclosed
EP-0345821-A1 Oral compositions THE PROCTER & GAMBLE COMPANY (US) 1989-12-13 EP disclosed
EP-0319516-A2 Oral compositions THE PROCTER & GAMBLE COMPANY (US) 1989-06-07 EP disclosed
EP-0297213-A2 Oral treatment and use of an oral composition THE PROCTER & GAMBLE COMPANY (US) 1989-01-04 EP disclosed
EP-0297211-A2 Oral compositions THE PROCTER & GAMBLE COMPANY (US) 1989-01-04 EP disclosed
EP-0297212-A2 Oral compositions THE PROCTER & GAMBLE COMPANY (US) 1989-01-04 EP disclosed