SCHEMBL1023076

SCHEMBL1023076

C1CCC(NC2CCCCC2)CC1.CCCCN(CCCC)C(=S)S

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH2 P05091 1/20 0.38
EPHX1 P07099 5/20 0.36
SIGMAR1 Q99720 2/20 0.36
PKM P14618 1/20 0.36
CYP1A2 P05177 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
EPHX2 P34913 1/20 0.36
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 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
Cyclohexylamine SCHEMBL4076365 0.82 ALDH1A1 (0.39) MEN1KMT2AALDH1A1ALDH2CYP1A2
SCHEMBL1023077 0.81 MEN1 (0.40) MEN1KMT2AALDH1A1HSD17B10ALDH2
SCHEMBL2288683 0.81 ALDH1A1 (0.38) MEN1KMT2AALDH1A1ALDH2PKM
SCHEMBL244470 0.78 ALDH1A1 (0.56) ALDH1A1ALDH2PKMCA12CA1
SCHEMBL28947901 0.78 ALDH1A1 (0.56) ALDH1A1ALDH2PKMCA12CA1
SCHEMBL22400004 0.78 MEN1 (0.53) MEN1KMT2AALDH1A1EPHX1SIGMAR1
SCHEMBL23754635 0.76 ALDH1A1 (0.54) MEN1KMT2AALDH1A1ALDH2SIGMAR1
SCHEMBL11567328 0.76 ALDH1A1 (0.54) MEN1KMT2AALDH1A1ALDH2SIGMAR1
SCHEMBL20787858 0.76 ALDH1A1 (0.54) MEN1KMT2AALDH1A1ALDH2SIGMAR1
SCHEMBL11112773 0.76 ALDH1A1 (0.54) MEN1KMT2AALDH1A1ALDH2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1398317-B1 ALICYCLIC COMPOUND FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2011-01-12 EP disclosed
EP-1319966-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-05-26 EP disclosed
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-7301705-B2 Alicyclic compound for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-11-27 US disclosed
US-7091307-B2 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-08-15 US disclosed
US-7009031-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2006-03-07 US disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040158031-A1 Alicyclic compound for optical material MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2004-08-12 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
US-20040122201-A1 polysulfides; improved impact resistance MITSUBISHI GAS CHEMICAL COMPANY (JP) 2004-06-24 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed
EP-1398317-A1 ALICYCLIC COMPOUND FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-03-17 EP disclosed
US-20040024165-A1 Composition for optical material MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2004-02-05 US disclosed
EP-1326095-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2003-07-09 EP disclosed
EP-1319966-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2003-06-18 EP disclosed