SCHEMBL4621276

SCHEMBL4621276

OCCSCCSc1cccc(S)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
APEX1 P27695 1/20 0.30

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
SCHEMBL26192750 0.91 ALDH1A1 (0.44) ALDH1A1MAPK1MTNR1AMTNR1BAPEX1
SCHEMBL24228153 0.87 ALDH1A1 (0.44) ALDH1A1MAPK1TDP1MEN1KMT2A
SCHEMBL24228152 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1TDP1MEN1KMT2A
SCHEMBL26703207 0.76 ALDH1A1 (0.34) ALDH1A1MAPK1TDP1MTNR1AMTNR1B
SCHEMBL10035840 0.75 ALDH1A1 (0.46) ALDH1A1MAPK1TDP1MEN1KMT2A
SCHEMBL26193000 0.73 APEX1 (0.33) ALDH1A1MAPK1APEX1
SCHEMBL26192746 0.72 ALDH1A1 (0.44) ALDH1A1MAPK1TDP1CA12CA1
SCHEMBL22606358 0.72 ALDH1A1 (0.44) ALDH1A1MAPK1MTNR1AMTNR1BAPEX1
SCHEMBL332367 0.71 ALDH1A1 (0.38) ALDH1A1MAPK1TDP1MEN1KMT2A
SCHEMBL3134177 0.70 ALDH1A1 (0.41) ALDH1A1MAPK1TDP1MEN1KMT2A

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
US-11066523-B2 Photochromic polyrotaxane compound and curable composition comprising the photochromic polyrotaxane compound TOKUYAMA CORPORATION (JP) 2021-07-20 US disclosed
US-20200172681-A1 PHOTOCHROMIC POLYROTAXANE COMPOUND AND CURABLE COMPOSITION COMPRISING THE PHOTOCHROMIC POLYROTAXANE COMPOUND TOKUYAMA CORPORATION (JP) 2020-06-04 US disclosed
EP-1885763-A1 HIGH IMPACT POLY(URETHANE UREA) POLYSULFIDES PPG Industries Ohio, Inc. (US) 2008-02-13 EP disclosed
WO-2006130339-A1 HIGH IMPACT POLY(URETHANE UREA) POLYSULFIDES PPG INDUSTRIES OHIO, INC. (US) 2006-12-07 WO disclosed
EP-1581574-A1 HIGH IMPACT POLY(URETHANE UREA) POLYSULFIDES PPG Industries Ohio, Inc. (US) 2005-10-05 EP disclosed
EP-1448651-A1 HIGH IMPACT POLY(URETHANE UREA) POLYSULFIDES PPG Industries Ohio, Inc. (US) 2004-08-25 EP disclosed
WO-2004060951-A1 HIGH IMPACT POLY(URETHANE UREA) POLYSULFIDES PPG INDUSTRIES OHIO, INC. (US) 2004-07-22 WO disclosed
WO-2003044070-A1 HIGH IMPACT POLY(URETHANE UREA) POLYSULFIDES PPG INDUSTRIES OHIO, INC. (US) 2003-05-30 WO disclosed
EP-1265938-A1 OPTICAL RESIN COMPOSITION PPG Industries Ohio, Inc. (US) 2002-12-18 EP disclosed
EP-1250370-A1 METHOD OF PREPARING AN OPTICAL POLYMERIZATE PPG Industries Ohio, Inc. (US) 2002-10-23 EP disclosed
EP-1250369-A1 METHOD OF PREPARING AN OPTICAL POLYMERIZATE PPG Industries Ohio, Inc. (US) 2002-10-23 EP disclosed
WO-2001036506-A1 OPTICAL RESIN COMPOSITION PPG INDUSTRIES OHIO, INC. (US) 2001-05-25 WO disclosed
WO-2001036507-A1 METHOD OF PREPARING AN OPTICAL POLYMERIZATE PPG INDUSTRIES OHIO, INC. (US) 2001-05-25 WO disclosed
WO-2001036508-A1 METHOD OF PREPARING AN OPTICAL POLYMERIZATE PPG INDUSTRIES OHIO, INC. (US) 2001-05-25 WO disclosed
EP-0676429-B1 Composition for urethane-based plastic lens MITSUI CHEMICALS INC (JP) 2000-12-27 EP disclosed