SCHEMBL5705117

SCHEMBL5705117

CCOC(=O)N(C)c1ccc(Cc2ccccc2N(C)C(=O)OCC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN1 P18031 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
LTA4H P09960 3/20 0.37

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
SCHEMBL5705166 0.87 LMNA (0.42) LMNATSHRSMN1; SMN2CHRNB2CHRNB4
SCHEMBL995321 0.84 LMNA (0.59) LMNATSHRSMN1; SMN2CHRNB2CHRNB4
SCHEMBL442790 0.77 CHRNB2 (0.59) LMNATSHRSMN1; SMN2CHRNB2CHRNB4
Benzene SCHEMBL1720409 0.77 CHRNB2 (0.59) LMNATSHRSMN1; SMN2CHRNB2CHRNB4
SCHEMBL30541729 0.76 LMNA (0.57) LMNATSHRSMN1; SMN2CHRNB2CHRNB4
SCHEMBL30679483 0.76 ROCK2 (0.42) LMNATSHRKMT2AALDH1A1HSD17B10
SCHEMBL27861809 0.75 ALDH1A1 (0.40) LMNATSHRSMN1; SMN2CTDSP1KMT2A
SCHEMBL7191106 0.75 CA12 (0.55) LMNATSHRSMN1; SMN2CHRNB2CHRNB4
SCHEMBL9136344 0.74 LMNA (0.62) LMNATSHRSMN1; SMN2CHRNB2CHRNB4
SCHEMBL8866817 0.74 CYP4F2 (0.57) LMNATSHRSMN1; SMN2CHRNB2CHRNB4

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 4 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 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 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