SCHEMBL6232445

SCHEMBL6232445

O=C1CCCCCCCCCC2OC12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
MCL1 Q07820 1/20 0.36
MT-CO2 P00403 3/20 0.36
ALOX5 P09917 3/20 0.36
MAPT P10636 2/20 0.35
CA6 P23280 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
SLC18A3 Q16572 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5821158 1.00 KMT2A (0.46) KMT2ACA1CA2CA4MCL1
SCHEMBL12916477 0.98
SCHEMBL10406511 0.98
SCHEMBL12916456 0.91
SCHEMBL588742 0.91
Water SCHEMBL8956941 0.88 CA1 (0.34) KMT2ACA1CA2CA4MT-CO2
Ethylene SCHEMBL11083381 0.86 CA1 (0.33) KMT2ACA1CA2CA4MT-CO2
SCHEMBL1505757 0.80
SCHEMBL12916480 0.80
Cyclopentanone SCHEMBL9743238 0.80 TRIM24 (0.43) KMT2ACA1CA2CA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1199297-B1 Method of continuously producing a cyclododecanone compound UBE INDUSTRIES (JP) 2005-06-01 EP disclosed
EP-1125909-B1 Method of producing cyclododecanone compound UBE INDUSTRIES (JP) 2005-05-04 EP disclosed
EP-1090900-B1 Method of producing cyclododecanone and cyclododecanol UBE INDUSTRIES (JP) 2003-05-07 EP disclosed
US-6518461-B2 Isomerizing an epoxycyclododecane compound in the presence of a catalyst selected from lithium bromide and lithium iodide, wherein the isomerization reaction is continuously carried out by passing a reaction mixture throug tubular reactor UBE INDUSTRIES, LTD. (JP) 2003-02-11 US disclosed
US-6515185-B1 Cyclododecanone and cyclododecanol are produced each in high yield by reacting a epoxycyclododecane compound with hydrogen in the presence of a solid catalyst containing (a) catalytic component including a platinum group metal, (b) a promoter UBE INDUSTRIES, LTD. (JP) 2003-02-04 US disclosed
US-20020077509-A1 Method of continuously producing a cyclododecanone compound UBE INDUSTRIES, LTD. 2002-06-20 US disclosed
US-6388140-B2 ISOMERIZATION OF EPOXYCYCLODODECANE IN PRESENCE OF CATALYST UBE INDUSTRIES, LTD. (JP) 2002-05-14 US disclosed
EP-1199297-A1 Method of continuously producing a cyclododecanone compound Ube Industries, Ltd. (JP) 2002-04-24 EP disclosed
US-20010023071-A1 Method and producing cyclododecanone compound UBE INDUSTRIES, LTD. 2001-09-20 US disclosed
EP-1125909-A1 Method of producing cyclododecanone compound Ube Industries, Ltd. (JP) 2001-08-22 EP disclosed
EP-1090900-A1 Method of producing cyclododecanone and cyclododecanol Ube Industries, Ltd. (JP) 2001-04-11 EP disclosed