Cyclohexane

Cyclohexane

SCHEMBL6541885

C1CCCCC1.O=C1OCCOC1=O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.30
CRHBP P24387 2/20 0.30
CRHR2 Q13324 2/20 0.30
HTT P42858 1/20 0.30
NAMPT P43490 1/20 0.30
MAPT P10636 1/20 0.30
GAA P10253 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
SCHEMBL34344 0.92
SCHEMBL16197636 0.92 LMNA (0.47) ALDH1A1LMNATP53TSHRCA1
SCHEMBL28379193 0.89 CA1 (0.50) ALDH1A1LMNATP53TSHRCA1
SCHEMBL31492941 0.89 CA1 (0.50) ALDH1A1LMNATP53TSHRCA1
SCHEMBL28886215 0.89 CA1 (0.50) ALDH1A1LMNATP53TSHRCA1
SCHEMBL3093303 0.89 CA1 (0.50) ALDH1A1LMNATP53TSHRCA1
SCHEMBL17672300 0.89 CA1 (0.50) ALDH1A1LMNATP53TSHRCA1
SCHEMBL4302406 0.89 CA1 (0.50) ALDH1A1LMNATP53TSHRCA1
SCHEMBL493682 0.89 CA1 (0.50) ALDH1A1LMNATP53TSHRCA1
SCHEMBL9788227 0.89 CA1 (0.50) ALDH1A1LMNATP53TSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1148847-A4 COMPOSITE BONE GRAFT, METHOD OF MAKING AND USING SAME LIFENET (US) 2004-12-01 EP disclosed
EP-1148847-A1 COMPOSITE BONE GRAFT, METHOD OF MAKING AND USING SAME Lifenet (US) 2001-10-31 EP disclosed
WO-2000040177-A1 COMPOSITE BONE GRAFT, METHOD OF MAKING AND USING SAME LIFENET (US) 2000-07-13 WO disclosed