Cyclohexane

Cyclohexane

SCHEMBL8514923

C1CCCCC1.NC(=O)CCCCC(N)=O.NC(=O)CCCCCCCCCCC(N)=O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 4/20 0.46
SOAT1 P35610 2/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
FAAH O00519 1/20 0.46
LMNA P02545 4/20 0.42
PMP22 Q01453 3/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
KDM4E B2RXH2 3/20 0.41
TARDBP Q13148 1/20 0.40
ALOX15 P16050 3/20 0.39
ALDH1A1 P00352 2/20 0.39
RECQL P46063 2/20 0.39
PLG P00747 1/20 0.39
THRB P10828 1/20 0.39

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 SCHEMBL10671134 1.00 L3MBTL1 (0.50) L3MBTL1KMT2ASOAT1MEN1TP53
Cyclohexane SCHEMBL7182354 1.00 L3MBTL1 (0.50) L3MBTL1KMT2ASOAT1MEN1TP53
Cyclohexane SCHEMBL3085007 1.00 L3MBTL1 (0.50) L3MBTL1KMT2ASOAT1MEN1TP53
Cyclohexane SCHEMBL15065860 1.00 L3MBTL1 (0.50) L3MBTL1KMT2ASOAT1MEN1TP53
SCHEMBL1160221 0.97 L3MBTL1 (0.52) L3MBTL1KMT2ASOAT1MEN1TP53
Cyclopropane SCHEMBL2280914 0.97 L3MBTL1 (0.52) L3MBTL1KMT2ASOAT1MEN1TP53
Cyclohexane SCHEMBL111661 0.97 L3MBTL1 (0.52) L3MBTL1KMT2ASOAT1MEN1TP53
Cyclopentane SCHEMBL928860 0.97 L3MBTL1 (0.52) L3MBTL1KMT2ASOAT1MEN1TP53
Cyclohexane SCHEMBL8987588 0.97 L3MBTL1 (0.52) L3MBTL1KMT2ASOAT1MEN1TP53
Cyclohexane SCHEMBL6231702 0.93 L3MBTL1 (0.50) L3MBTL1KMT2ASOAT1MEN1TP53

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
WO-2012071187-A1 IMPROVED SOLID STATE POLYMERIZATIONS OF POLYESTER ELASTOMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-31 WO disclosed