SCHEMBL473102

SCHEMBL473102

CCCCOC(=O)NNc1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.56
GAA P10253 4/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 10/20 0.51
NPC1 O15118 9/20 0.51
HPGD P15428 7/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
CASP1 P29466 1/20 0.51
MAPK1 P28482 1/20 0.51
MCL1 Q07820 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP1A2 P05177 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP2C9 P11712 2/20 0.51
KMT2A Q03164 3/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL474569 0.94 SMN1; SMN2 (0.54) SMN1; SMN2GAAHTTRAB9ANPC1
SCHEMBL1625209 0.86 GAA (0.71) SMN1; SMN2GAARAB9ANPC1HPGD
SCHEMBL10192215 0.84 RAB9A (0.70) SMN1; SMN2GAARAB9ANPC1HPGD
SCHEMBL21059194 0.79 RAB9A (0.64) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL7924710 0.78 NPC1 (0.62) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL21059214 0.78 NPC1 (0.62) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL4840984 0.78 NPC1 (0.62) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL14052229 0.78 NPC1 (0.62) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL13004150 0.78 SMN1; SMN2 (0.62) SMN1; SMN2GAARAB9ANPC1HPGD
SCHEMBL7564852 0.76 RAB9A (0.79) SMN1; SMN2GAARAB9ANPC1HPGD

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-2527297-B1 PROCESS FOR PRODUCTION OF ZINC TOLUENESULFONATE, ZINC TOLUENESULFONATE, AND PROCESS FOR PRODUCTION OF CARBAMATE MITSUI CHEMICALS INC (JP) 2018-11-21 EP disclosed
EP-2412703-B1 URETHANE COMPOUND AND PROCESS FOR PRODUCTION THEREOF, AND ISOCYANATE AND PROCESS FOR PRODUCTION THEREOF MITSUI CHEMICALS INC (JP) 2016-06-29 EP disclosed
EP-2518044-B1 METHOD FOR TREATMENT OF ISOCYANATE RESIDUE, AND METHOD FOR TREATMENT OF CARBONATE MITSUI CHEMICALS INC (JP) 2016-04-13 EP disclosed
US-9150502-B2 Urethane compound and method for producing the same, and isocyanate and method for producing the same MITSUI CHEMICALS, INC. (JP) 2015-10-06 US disclosed
US-9000219-B2 Method for treatment of isocyanate residue, and method for treatment of carbonate MITSUI CHEMICALS, INC. (JP) 2015-04-07 US disclosed
US-8664420-B2 Process for production of zinc toluenesulfonate, zinc toluenesulfonate, and process for production of carbamate MITSUI CHEMICALS, INC. (JP) 2014-03-04 US disclosed
EP-2518044-A1 METHOD FOR TREATMENT OF ISOCYANATE RESIDUE, AND METHOD FOR TREATMENT OF CARBONATE Mitsui Chemicals, Inc. (JP) 2012-10-31 EP disclosed
US-20120271067-A1 METHOD FOR TREATMENT OF ISOCYANATE RESIDUE, AND METHOD FOR TREATMENT OF CARBONATE MITSUI CHEMICALS, INC. 2012-10-25 US disclosed
US-20120259134-A1 PROCESS FOR PRODUCTION OF ZINC TOLUENESULFONATE, ZINC TOLUENESULFONATE, AND PROCESS FOR PRODUCTION OF CARBAMATE MITSUI CHEMICALS, INC. 2012-10-11 US disclosed
EP-2412703-A1 URETHANE COMPOUND AND PROCESS FOR PRODUCTION THEREOF, AND ISOCYANATE AND PROCESS FOR PRODUCTION THEREOF Mitsui Chemicals, Inc. (JP) 2012-02-01 EP disclosed
US-20120010427-A1 URETHANE COMPOUND AND METHOD FOR PRODUCING THE SAME, AND ISOCYANATE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS, INC. 2012-01-12 US disclosed