Cyclohexanone

Cyclohexanone

SCHEMBL4581972

CCC1CCCCC1=O.O=C1CCCCC1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.44
TRIM24 O15164 2/20 0.44
TRIM33 Q9UPN9 2/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA4 P22748 5/20 0.44
CA6 P23280 4/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.38
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL2691839 0.94 KMT2A (0.52) KMT2AALDH1A1CA1CA2CA4
SCHEMBL2690321 0.94 KMT2A (0.52) KMT2AALDH1A1CA1CA2CA4
SCHEMBL7704612 0.94 KMT2A (0.52) KMT2AALDH1A1CA1CA2CA4
SCHEMBL27081209 0.94 KMT2A (0.52) KMT2AALDH1A1CA1CA2CA4
SCHEMBL4419905 0.94 KMT2A (0.52) KMT2AALDH1A1CA1CA2CA4
SCHEMBL11300049 0.94 KMT2A (0.52) KMT2AALDH1A1CA1CA2CA4
SCHEMBL3878315 0.94 KMT2A (0.52) KMT2AALDH1A1CA1CA2CA4
SCHEMBL200410 0.92
Methylene Chloride SCHEMBL28137470 0.86 CA1 (0.45) KMT2AALDH1A1CA1CA2CA4
SCHEMBL21006006 0.85

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
US-20080151373-A1 Optical Film, Polarizing Plate and Liquid Crystal Display JSR CORPORATION (JP) 2008-06-26 US disclosed