SCHEMBL5705124

SCHEMBL5705124

CCOC(=O)NCc1ccc(Cc2ccc(CNC(=O)OCC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
TSHR P16473 2/20 0.64
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALOX15 P16050 1/20 0.55
GLA P06280 1/20 0.51
KMT2A Q03164 1/20 0.51
PPID Q08752 4/20 0.49
PPIB P23284 1/20 0.49
PPIA P62937 1/20 0.49
PPIG Q13427 1/20 0.49
HTT P42858 1/20 0.48
HDAC1 Q13547 1/20 0.47
MAPT P10636 1/20 0.44

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
SCHEMBL10599026 0.94 TSHR (0.70) SMN1; SMN2TSHRLMNAGAAKDM4E
SCHEMBL9136581 0.89 LMNA (0.69) SMN1; SMN2TSHRLMNAGAAKDM4E
SCHEMBL5705119 0.86 ALOX15 (0.56) SMN1; SMN2TSHRLMNAGAAKDM4E
SCHEMBL23528048 0.86 SMN1; SMN2 (0.60) SMN1; SMN2TSHRLMNAGAAKDM4E
SCHEMBL31467556 0.86 PPID (0.66) SMN1; SMN2TSHRLMNAGAAKDM4E
SCHEMBL12745804 0.86 TSHR (0.60) SMN1; SMN2TSHRLMNAGAAKDM4E
SCHEMBL6333483 0.86 SMN1; SMN2 (0.69) SMN1; SMN2TSHRLMNAGAAKDM4E
SCHEMBL14311316 0.86 SMN1; SMN2 (0.60) SMN1; SMN2TSHRLMNAGAAKDM4E
SCHEMBL8148107 0.86 TSHR (0.65) SMN1; SMN2TSHRLMNAGAAKDM4E
Benzene SCHEMBL8878788 0.85 PPID (0.64) SMN1; SMN2TSHRLMNAGAAKDM4E

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 7 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
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
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