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Sugi Predict / Compounds / Cyclohexane

Cyclohexane

Cyclohexane

SCHEMBL6913818

C1CCCCC1.C=COC(CCCCCCCCCCC)OC=C.CO.CO

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 3/20 0.42
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 3/20 0.34
▸ GPR84 Q9NQS5 3/20 0.33
▸ FDPS P14324 3/20 0.33
▸ ZDHHC7 Q9NXF8 1/20 0.33
▸ SPHK1 Q9NYA1 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ MAPT P10636 1/20 0.32

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
SCHEMBL2130926 0.90 SMPD1 (0.44) SMPD1LMNATSHRGPR84FDPS
SCHEMBL755748 0.90 SMPD1 (0.44) SMPD1LMNATSHRGPR84FDPS
SCHEMBL13687268 0.90 SMPD1 (0.44) SMPD1LMNATSHRGPR84FDPS
SCHEMBL13687283 0.90 SMPD1 (0.44) SMPD1LMNATSHRGPR84FDPS
SCHEMBL2453033 0.90 SMPD1 (0.44) SMPD1LMNATSHRGPR84FDPS
SCHEMBL36477 0.88 SMPD1 (0.41) SMPD1LMNATSHRFDPSMAPT
SCHEMBL13686628 0.82 TSHR (0.40) SMPD1TSHR
SCHEMBL6762424 0.77 OPRM1 (0.37) SMPD1LMNATSHR
Cyclohexane SCHEMBL6913821 0.76 GPR84 (0.36) SMPD1LMNAGPR84SPHK1FFAR1
SCHEMBL2574114 0.75 LMNA (0.53) LMNATSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004084963-A1 POROUS MEDICAL ADHESIVE COMPRISING CYANONACRYLATE SMITH & NEPHEW, PLC (GB) 2004-10-07 — — WO disclosed