Cyclohexane

Cyclohexane

SCHEMBL27561998

C1CCCCC1.CC(C)C(=O)Cc1cccs1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
HPGD P15428 4/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 4/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.45
HSD11B1 P28845 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL2625199 0.95 PKM (0.54) PKMHPGDALDH1A1CYP2C19POLB
SCHEMBL10926522 0.81 PKM (0.51) PKMHPGDALDH1A1CYP2C19POLB
SCHEMBL6302633 0.77 CYP2C19 (0.49) PKMHPGDALDH1A1CYP2C19POLB
SCHEMBL12374106 0.77 CYP2C19 (0.52) PKMHPGDALDH1A1CYP2C19POLB
SCHEMBL13428947 0.76 PKM (0.70) PKMHPGDALDH1A1POLBRAB9A
SCHEMBL11884445 0.76 HPGD (0.47) PKMHPGDALDH1A1CYP2C19POLB
SCHEMBL6871347 0.76 PKM (0.47) PKMHPGDALDH1A1CYP2C19POLB
SCHEMBL13689264 0.75 SMN1; SMN2 (0.48) PKMALDH1A1CYP2C19POLBRAB9A
SCHEMBL888814 0.75 CYP2C19 (0.54) PKMHPGDALDH1A1CYP2C19RAB9A
SCHEMBL888821 0.75 CYP2C19 (0.54) PKMHPGDALDH1A1CYP2C19RAB9A

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-1229693-C Optical enhancement right photoetching rubber composite and sulfonium salt SUMITOMO CHEMICAL CO (JP) 2005-11-30 CN disclosed