Cyclohexane

Cyclohexane

SCHEMBL30739999

C1CCCCC1.O=C(O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
SRD5A2 P31213 2/20 0.54
BCL9 O00512 1/20 0.54
CTNNB1 P35222 1/20 0.54
KMT2A Q03164 3/20 0.53
PKM P14618 1/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
MEN1 O00255 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
POLB P06746 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
MGLL Q99685 2/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL26375 0.94 GAA (0.62) GAASRD5A2BCL9CTNNB1KMT2A
Hydrochloric Acid SCHEMBL7895039 0.92 GAA (0.61) GAASRD5A2BCL9CTNNB1KMT2A
Bromide SCHEMBL30468845 0.92 GAA (0.61) GAASRD5A2BCL9CTNNB1KMT2A
Bicarbonate SCHEMBL7985678 0.92 GAA (0.61) GAASRD5A2BCL9CTNNB1KMT2A
SCHEMBL27544786 0.91 BCL9 (0.50) GAASRD5A2BCL9CTNNB1KMT2A
Cyclopentene SCHEMBL31370853 0.90 GAA (0.51) GAASRD5A2BCL9CTNNB1KMT2A
SCHEMBL7496074 0.89 GAA (0.51) GAASRD5A2BCL9CTNNB1KMT2A
Bicarbonate SCHEMBL9330234 0.89 GAA (0.57) GAASRD5A2BCL9CTNNB1KMT2A
Acetic Acid SCHEMBL28965273 0.89 GAA (0.62) GAASRD5A2BCL9CTNNB1KMT2A
SCHEMBL26654348 0.89 GAA (0.57) GAASRD5A2BCL9CTNNB1KMT2A

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-117412954-A Synthesis of rapamycin analog compounds 锐新医药公司 2024-01-16 CN disclosed