SCHEMBL5705166

SCHEMBL5705166

CCOC(=O)N(C)c1ccccc1Cc1ccccc1N(C)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
TSHR P16473 3/20 0.42
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5705117 0.87 LMNA (0.48) LMNATSHRALDH1A1HSD17B10L3MBTL1
SCHEMBL27861809 0.83 ALDH1A1 (0.40) LMNATSHRALDH1A1HSD17B10L3MBTL1
SCHEMBL7191106 0.83 CA12 (0.55) LMNATSHRALDH1A1HSD17B10L3MBTL1
SCHEMBL10905028 0.80 SMN1; SMN2 (0.38) LMNATSHRALDH1A1HSD17B10L3MBTL1
SCHEMBL995336 0.79 CA12 (0.46) LMNATSHRALDH1A1HSD17B10L3MBTL1
SCHEMBL31126854 0.79 TSHR (0.62) LMNATSHRALDH1A1HSD17B10L3MBTL1
SCHEMBL7185633 0.79 TSHR (0.49) LMNATSHRALDH1A1HSD17B10L3MBTL1
SCHEMBL9742579 0.79 TSHR (0.62) LMNATSHRALDH1A1HSD17B10L3MBTL1
SCHEMBL11570035 0.78 SIGMAR1 (0.56) TSHRALDH1A1POLBHPGDKDM4E
SCHEMBL27541653 0.78 TSHR (0.47) LMNATSHRALDH1A1HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 disclosed
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 disclosed