Cyclohexane

Cyclohexane

SCHEMBL8879285

C1CCCCC1.O=C1CCCCC1S

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA4 P22748 3/20 0.48
TRIM24 O15164 2/20 0.36
TRIM33 Q9UPN9 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MCL1 Q07820 1/20 0.35
CA6 P23280 2/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
TLR4 O00206 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL112763 1.00 KMT2A (0.52) KMT2ACA1CA2CA4TRIM24
SCHEMBL11657362 1.00 KMT2A (0.52) KMT2ACA1CA2CA4TRIM24
Cyclopentane SCHEMBL8879018 1.00 KMT2A (0.52) KMT2ACA1CA2CA4TRIM24
SCHEMBL822982 1.00
SCHEMBL4989703 1.00 KMT2A (0.52) KMT2ACA1CA2CA4TRIM24
SCHEMBL28983235 1.00 KMT2A (0.52) KMT2ACA1CA2CA4TRIM24
Methane SCHEMBL27674323 0.97 KMT2A (0.50) KMT2ACA1CA2CA4TRIM24
SCHEMBL822956 0.97
Methane SCHEMBL8878704 0.95
Biphenyl SCHEMBL3157315 0.93 KMT2A (0.46) KMT2ACA1CA2CA4TRIM24

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7025846-A None JP disclosed
US-5635332-A MIXTURE WITH ULTRAVIOLET TRANSPARENT POLYMER HAVING GROUPS WHICH ARE UNSTABLE TO ACID NEC CORPORATION (JP) 1997-06-03 US disclosed
US-5585507-A FINENESS PATTERNS NEC CORPORATION (JP) 1996-12-17 US disclosed
JP-H0725846-A ALKYLSULFONIUM SALT NEC CORP 1995-01-27 JP disclosed