Cyclohexane

Cyclohexane

SCHEMBL27520153

C1CCCCC1.O=C(Cc1cccs1)C1CCCC1

nearest known ligand 0.61

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.61
KMT2A Q03164 4/20 0.50
POLB P06746 2/20 0.50
HSD17B10 Q99714 2/20 0.48
SIGMAR1 Q99720 2/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CTSC P53634 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
Cyclohexane SCHEMBL28743392 1.00 HPGD (0.61) HPGDKMT2APOLBHSD17B10SIGMAR1
Cyclopentane SCHEMBL27521514 1.00 HPGD (0.61) HPGDKMT2APOLBHSD17B10SIGMAR1
Cyclopentane SCHEMBL27521437 1.00 HPGD (0.61) HPGDKMT2APOLBHSD17B10SIGMAR1
SCHEMBL1568578 0.78 CYP3A4 (0.70) HPGDKMT2APOLBHSD17B10SIGMAR1
SCHEMBL5567016 0.76 HPGD (1.00) HPGDKMT2APOLBMEN1ALDH1A1
SCHEMBL7260706 0.76 HPGD (0.57) HPGDKMT2APOLBMEN1ALDH1A1
SCHEMBL30486735 0.76 CYP19A1 (0.56) HPGDKMT2APOLBHSD17B10SIGMAR1
Cyclopentane SCHEMBL27502066 0.75 HPGD (0.51) HPGDKMT2APOLBHSD17B10MEN1
Cyclohexane SCHEMBL27529519 0.75 HPGD (0.51) HPGDKMT2APOLBHSD17B10MEN1
SCHEMBL6077865 0.74 HPGD (0.97) HPGDKMT2APOLBMEN1ALDH1A1

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