SCHEMBL1023077

SCHEMBL1023077

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX1 P07099 9/20 0.38
EPHX2 P34913 2/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH2 P05091 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 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
Cyclohexylamine SCHEMBL635197 0.84 ALDH1A1 (0.38) MEN1KMT2AEPHX1ALDH1A1ALDH2
SCHEMBL1023076 0.81 MEN1 (0.41) MEN1KMT2AEPHX1EPHX2ALDH1A1
SCHEMBL244471 0.80 ALDH1A1 (0.52) MEN1KMT2AALDH1A1ALDH2
SCHEMBL11112778 0.78 ALDH1A1 (0.50) MEN1KMT2AALDH1A1ALDH2
SCHEMBL15486103 0.78 ALDH1A1 (0.50) MEN1KMT2AALDH1A1ALDH2
SCHEMBL4336613 0.78 ALDH1A1 (0.50) MEN1KMT2AALDH1A1ALDH2
SCHEMBL4382191 0.78 ALDH1A1 (0.50) MEN1KMT2AALDH1A1ALDH2
SCHEMBL11516595 0.78 ALDH1A1 (0.50) MEN1KMT2AALDH1A1ALDH2
SCHEMBL11855874 0.78 ALDH1A1 (0.50) MEN1KMT2AALDH1A1ALDH2
Ammonia Solution, Strong SCHEMBL16207538 0.78 ALDH1A1 (0.50) MEN1KMT2AALDH1A1ALDH2

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