Cyclohexane

Cyclohexane

SCHEMBL27726328

C1CCCCC1.CCCOC(=O)c1cccnc1

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.76
LMNA P02545 7/20 0.72
ALDH1A1 P00352 4/20 0.60
KMT2A Q03164 4/20 0.60
MAPT P10636 3/20 0.60
MEN1 O00255 2/20 0.60
HPGD P15428 1/20 0.60
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
GAA P10253 1/20 0.56
TDP1 Q9NUW8 2/20 0.56
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NAMPT P43490 1/20 0.53

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
SCHEMBL382067 0.95 L3MBTL1 (0.82) L3MBTL1LMNAALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL28859518 0.94 L3MBTL1 (0.80) L3MBTL1LMNAALDH1A1KMT2AMAPT
Ethyl Nicotinate SCHEMBL7864950 0.91 L3MBTL1 (0.76) L3MBTL1LMNAALDH1A1KMT2AMAPT
SCHEMBL551716 0.86 L3MBTL1 (1.00) L3MBTL1LMNAALDH1A1KMT2AMAPT
SCHEMBL25009812 0.85 L3MBTL1 (0.76) L3MBTL1LMNAALDH1A1KMT2AMAPT
SCHEMBL30556174 0.85 L3MBTL1 (0.76) L3MBTL1LMNAALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL5559952 0.85 L3MBTL1 (0.97) L3MBTL1LMNAALDH1A1KMT2AMAPT
SCHEMBL551811 0.85 LMNA (0.97) L3MBTL1LMNAALDH1A1KMT2AMAPT
SCHEMBL9717064 0.84 LMNA (1.00) L3MBTL1LMNAALDH1A1KMT2AMAPT
SCHEMBL4275232 0.84 LMNA (1.00) L3MBTL1LMNAALDH1A1KMT2AMAPT

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
CN-101309690-A Chemokine receptor binding compounds ANORMED INC (CA) 2008-11-19 CN disclosed