SCHEMBL542859

SCHEMBL542859

O=S(=O)(OCC#CC#CCOS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ENPP3 O14638 3/20 0.40
ENPP1 P22413 2/20 0.40
ENPP2 Q13822 2/20 0.40
SOS1 Q07889 1/20 0.38
CA2 P00918 4/20 0.37
MMP2 P08253 3/20 0.37
MMP9 P14780 2/20 0.37
CA1 P00915 2/20 0.37
MMP1 P03956 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
PKM P14618 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MMP14 P50281 1/20 0.36
CA12 O43570 3/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CRBN Q96SW2 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
SCHEMBL11307710 0.86 MEN1 (0.38) MEN1KMT2AENPP3ENPP1ENPP2
SCHEMBL15873778 0.81 PLCG1 (0.44) CA2MMP2MMP9CA1MMP1
SCHEMBL542839 0.81 GAA (0.43) KMT2AENPP3ENPP1ENPP2CA2
SCHEMBL543100 0.81 ALDH1A1 (0.43) MEN1KMT2ACA2MMP2MMP9
SCHEMBL6259970 0.79 PKM (0.50) CA2MMP2MMP9CA1MMP1
SCHEMBL11348679 0.78 PKM (0.36) MEN1KMT2AENPP3ENPP1ENPP2
SCHEMBL6114697 0.78 MEN1 (0.46) MEN1KMT2ASOS1CA2MMP2
SCHEMBL15000837 0.78 MEN1 (0.46) MEN1KMT2ASOS1CA2MMP2
SCHEMBL11133439 0.77 STAT3 (0.40) KMT2AENPP3ENPP1ENPP2CA2
SCHEMBL11291803 0.75 POLB (0.49) MEN1KMT2ACA2MMP2MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4278561-A MONITORING SHELF LIFE OF PERISHABLES, POLYMERIZATION, COLOR CHANGE ALLIED CHEMICAL CORPORATION (US) 1981-07-14 US claimed
EP-0008958-A1 Fluorinated benzenesulfonate diacetylenes, a composition containing a polymer derived from these monomers; the application of such compounds in time-temperature history monitoring devices ALLIED CORPORATION (US) 1980-03-19 EP claimed
EP-2414420-B1 CO-CRYSTALLIZABLE DIACETYLENIC MONOMER COMPOSITIONS, CRYSTAL PHASES AND MIXTURES, AND RELATED METHODS TEMPTIME CORP (US) 2015-07-08 EP disclosed
US-8354486-B2 Co-crystallizable diacetylenic monomer compositions, crystal phases and mixtures, and related methods TEMPTIME CORPORATION (US) 2013-01-15 US disclosed
EP-2414420-A1 CO-CRYSTALLIZABLE DIACETYLENIC MONOMER COMPOSITIONS, CRYSTAL PHASES AND MIXTURES, AND RELATED METHODS Temptime Corporation (US) 2012-02-08 EP disclosed
US-20110086995-A1 CO-CRYSTALLIZABLE DIACETYLENIC MONOMER COMPOSITIONS, CRYSTAL PHASES AND MIXTURES, AND RELATED METHODS TEMPTIME CORPORATION (US) 2011-04-14 US disclosed
WO-2010114752-A1 CO-CRYSTALLIZABLE DIACETYLENIC MONOMER COMPOSITIONS, CRYSTAL PHASES AND MIXTURES, AND RELATED METHODS TEMPTIME CORPORATION (US) 2010-10-07 WO disclosed
US-4278561-A MONITORING SHELF LIFE OF PERISHABLES, POLYMERIZATION, COLOR CHANGE ALLIED CHEMICAL CORPORATION (US) 1981-07-14 US disclosed
EP-0008958-A1 Fluorinated benzenesulfonate diacetylenes, a composition containing a polymer derived from these monomers; the application of such compounds in time-temperature history monitoring devices ALLIED CORPORATION (US) 1980-03-19 EP disclosed