SCHEMBL5705196

SCHEMBL5705196

CCOC(=O)N(CC)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP3A4 P08684 1/20 0.40
CNR2 P34972 2/20 0.39
HTT P42858 1/20 0.38
ABCB1 P08183 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
MEN1 O00255 2/20 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
SCHEMBL29276174 0.89 TSHR (0.44) TSHRALDH1A1KMT2ACYP3A4CNR2
SCHEMBL9358287 0.81 LMNA (0.48) TSHRALDH1A1KMT2ACNR2ABCB1
SCHEMBL27901771 0.79 TSHR (0.49) TSHRALDH1A1KMT2ACYP3A4HTT
SCHEMBL798178 0.79 TSHR (0.49) TSHRALDH1A1KMT2ACYP3A4HTT
SCHEMBL9224528 0.77 TSHR (0.50) TSHRALDH1A1KMT2AHTTHPGD
SCHEMBL28802321 0.76 TSHR (0.52) TSHRALDH1A1KMT2ACYP3A4HTT
SCHEMBL798625 0.75 TSHR (0.49) TSHRALDH1A1KMT2ACYP3A4HTT
SCHEMBL9139083 0.75 TSHR (0.58) TSHRALDH1A1CNR2HTTGAA
SCHEMBL1400828 0.75 ALDH1A1 (0.63) TSHRALDH1A1KMT2AHTTL3MBTL1
SCHEMBL2090037 0.74 PTGIR (0.49) ALDH1A1KMT2AHTTL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1330629-C Integrated process for the preparation of aromatic isocyanates and procedures for effecting the relative intermediate phases ENICHEM SPA (US) 2007-08-08 CN claimed
EP-1255728-B1 INTEGRATED PROCESS FOR THE PREPARATION OF AROMATIC ISOCYANATES AND PROCEDURES FOR EFFECTING THE RELATIVE INTERMEDIATE PHASES DOW GLOBAL TECHNOLOGIES INC (US) 2006-08-30 EP claimed
US-20030162995-A1 Integrated process for the preparation of aromatic isocyanates and procedures for effecting the relative intermediate phases DOW GLOBAL TECHNOLOGIES LLC 2003-08-28 US claimed
EP-1255728-A1 INTEGRATED PROCESS FOR THE PREPARATION OF AROMATIC ISOCYANATES AND PROCEDURES FOR EFFECTING THE RELATIVE INTERMEDIATE PHASES Enichem S.p.A. (IT) 2002-11-13 EP claimed
WO-2001056977-A1 INTEGRATED PROCESS FOR THE PREPARATION OF AROMATIC ISOCYANATES AND PROCEDURES FOR EFFECTING THE RELATIVE INTERMEDIATE PHASES ENICHEM S.P.A. (IT) 2001-08-09 WO claimed
CN-1330629-C Integrated process for the preparation of aromatic isocyanates and procedures for effecting the relative intermediate phases ENICHEM SPA (US) 2007-08-08 CN disclosed
EP-1255728-B1 INTEGRATED PROCESS FOR THE PREPARATION OF AROMATIC ISOCYANATES AND PROCEDURES FOR EFFECTING THE RELATIVE INTERMEDIATE PHASES DOW GLOBAL TECHNOLOGIES INC (US) 2006-08-30 EP disclosed
US-6992214-B2 Integrated process for the preparation of aromatic isocyanates and procedures for effecting the relative intermediate phases DOW GLOBAL TECHNOLOGIES INC. (US) 2006-01-31 US disclosed
US-20030162995-A1 Integrated process for the preparation of aromatic isocyanates and procedures for effecting the relative intermediate phases DOW GLOBAL TECHNOLOGIES LLC 2003-08-28 US disclosed
EP-0143320-B1 METHOD FOR THE PREPARATION OF ISOCYANATES BY THERMAL DECOMPOSITION OF URETHANES BASF Aktiengesellschaft (DE) 1988-01-20 EP disclosed
EP-0078005-B1 METHOD FOR THE PREPARATION OF ISOCYANATES BY PYROLYSIS OF URETHANES BASF Aktiengesellschaft (DE) 1985-08-07 EP disclosed
US-4530796-A Vapor phase pyrolysis BASF AKTIENGESELLSCHAFT (DE) 1985-07-23 US disclosed
EP-0143320-A2 Method for the preparation of isocyanates by thermal decomposition of urethanes BASF Aktiengesellschaft (DE) 1985-06-05 EP disclosed
US-4482499-A IN THE PRESENCE OF CARBON BASF AKTIENGESELLSCHAFT (DE) 1984-11-13 US disclosed
EP-0078005-A1 Method for the preparation of isocyanates by pyrolysis of urethanes BASF Aktiengesellschaft (DE) 1983-05-04 EP disclosed
US-4330479-A ZINC OR ALUMINUM CATALYST BASF AKTIENGESELLSCHAFT (DE) 1982-05-18 US disclosed