Cyclohexane

Cyclohexane

SCHEMBL7100211

C1CCCCC1.NC(N)(CCCP(=O)(O)O)P(=O)(O)O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.46
GRM4 Q14833 1/20 0.45
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
ENPP2 Q13822 1/20 0.38
FDPS P14324 4/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
LPAR3 Q9UBY5 3/20 0.37
LPAR2 Q9HBW0 1/20 0.37
BBOX1 O75936 1/20 0.35

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
SCHEMBL4413277 0.93 TYMS (0.52) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL1285912 0.76 TYMS (0.48) TYMSGRM4LMNACYP3A4NFKB1
Water SCHEMBL9900532 0.74 TYMS (0.46) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL2318641 0.72 TYMS (0.55) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL10764074 0.72 TYMS (0.55) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL1285642 0.70 TYMS (0.46) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL16107520 0.70 GRM4 (0.50) TYMSGRM4LMNACYP3A4NFKB1
Ethylenediamine SCHEMBL583838 0.70 LMNA (0.56) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL2319103 0.68 TYMS (0.50) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL19212014 0.68 GGPS1 (0.56) TYMSGRM4LMNACYP3A4NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946506-B1 Process for the preparation of percarboxylic acid solutions SOLVAY INTEROX LTD (GB) 2003-09-03 EP claimed
US-6274542-B1 PEROXIDATION OF ALIPHATIC DIESTERS WITH HYDROGEN PEROXIDE SOLVAY INTEROX LIMITED (GB) 2001-08-14 US claimed
EP-0946506-A1 PERCARBOXYLIC ACID SOLUTIONS SOLVAY INTEROX LIMITED (GB) 1999-10-06 EP claimed
WO-1998028267-A1 PERCARBOXYLIC ACID SOLUTIONS SOLVAY INTEROX LIMITED (GB) 1998-07-02 WO claimed
EP-0460179-B1 PEROXYCARBOXYLIC ACIDS SOLVAY INTEROX LTD (GB) 1994-12-07 EP disclosed
US-5266587-A Bleach INTEROX CHEMICALS LIMITED (GB) 1993-11-30 US disclosed