Cyclohexane

Cyclohexane

SCHEMBL6442295

C1CCCCC1.O=C(O)c1ccc(C(=O)OCO)cc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 2/20 0.44
SRD5A2 P31213 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA3 P07451 1/20 0.41
TYR P14679 1/20 0.41
DRD1 P21728 1/20 0.41
CA4 P22748 1/20 0.41

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
SCHEMBL27562916 0.94 TSHR (0.55) MAPTTP53TSHRALDH1A1SRD5A2
Cyclohexane SCHEMBL574083 0.92 RAB9A (0.49) TSHRALDH1A1RAB9AKMT2AMEN1
SCHEMBL10939284 0.87 KMT2A (0.46) MAPTTSHRALDH1A1SRD5A2KMT2A
SCHEMBL6063284 0.85 ESR1 (0.52) TSHRALDH1A1RAB9AKMT2AMEN1
SCHEMBL8350541 0.85 TDP1 (0.48) MAPTTP53TSHRALDH1A1RAB9A
Cyclohexane SCHEMBL22501390 0.85 TDP1 (0.48) MAPTTP53TSHRALDH1A1RAB9A
Cyclopropane SCHEMBL8344846 0.85 TDP1 (0.48) MAPTTP53TSHRALDH1A1RAB9A
Water SCHEMBL10717096 0.83 TDP1 (0.47) MAPTTP53TSHRALDH1A1RAB9A
Cyclohexane SCHEMBL2895131 0.82 MAPT (0.49) MAPTTP53TSHRALDH1A1RAB9A
Cyclohexane SCHEMBL11609930 0.79 SERPINE1 (0.44) MAPTTP53TSHRALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532205-A1 POLYESTER COMPOSITIONS FOR APPEARANCE PARTS E.I. du Pont de Nemours and Company (US) 2005-05-25 EP disclosed
EP-1532206-A1 POLYESTER COMPOSITIONS FOR APPEARANCE PARTS E.I. du Pont de Nemours and Company (US) 2005-05-25 EP disclosed
WO-2004020520-A1 POLYESTER COMPOSITIONS FOR APPEARANCE PARTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-03-11 WO disclosed
WO-2004020521-A1 POLYESTER COMPOSITIONS FOR APPEARANCE PARTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-03-11 WO disclosed
US-4299959-A N-SUBSTITUTED IMINOCOUMARINS CIBA-GEIGY CORPORATION (US) 1981-11-10 US disclosed
US-4153618-A N-SUBSTITUTED IMINOCOUMARINS CIBA-GEIGY CORPORATION (US) 1979-05-08 US disclosed
US-4084053-A YELLOW AND ORANGE DYES, PYRIMIDINO(4',5':5,6)-1,2,4-TRIAZINO(4,3-BETA)INDAZOLES CIBA-GEIGY CORPORATION (US) 1978-04-11 US disclosed