Cyclohexane

Cyclohexane

SCHEMBL4714543

C1CCCCC1.Cc1cccc(C=Cc2cccc(NC(=O)O)c2)n1

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
ALDH1A1 P00352 2/20 0.56
PKM P14618 2/20 0.56
GRM5 P41594 1/20 0.56
GRM4 Q14833 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
CYP2C19 P33261 1/20 0.56
THPO P40225 1/20 0.56

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
SCHEMBL4710726 0.87 MEN1 (0.57) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4710727 0.87 MEN1 (0.57) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4710790 0.84 MEN1 (0.51) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4710791 0.84 MEN1 (0.51) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4715210 0.83 KMT2A (0.51) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4715215 0.83 KMT2A (0.51) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4715212 0.83 KMT2A (0.51) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4710866 0.82 MEN1 (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4710865 0.82 MEN1 (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4713809 0.82 KDM4E (0.55) MEN1KMT2ANPC1RAB9AALDH1A1

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
EP-0998459-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2008-04-23 EP claimed