SCHEMBL5705169

SCHEMBL5705169

CCOC(=O)NCc1ccccc1Cc1ccccc1CNC(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 2/20 0.47
ALOX15 P16050 1/20 0.46
KDM4E B2RXH2 2/20 0.45
GLA P06280 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 6/20 0.44
ALDH1A1 P00352 3/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL29501769 0.90 GAA (0.51) TSHRSMN1; SMN2GAAALOX15KDM4E
SCHEMBL28716737 0.90 GAA (0.51) TSHRSMN1; SMN2GAAALOX15KDM4E
SCHEMBL5705119 0.89 ALOX15 (0.56) TSHRSMN1; SMN2GAAALOX15KDM4E
SCHEMBL28333253 0.86 HPGD (0.58) TSHRSMN1; SMN2GAAALOX15KDM4E
SCHEMBL7538476 0.85 TSHR (0.48) TSHRSMN1; SMN2GAAALOX15KDM4E
SCHEMBL6331300 0.83 NPC1 (0.62) TSHRSMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL18231364 0.82 ALDH1A1 (0.57) TSHRSMN1; SMN2ALOX15KDM4EGLA
SCHEMBL7539272 0.82 HTT (0.54) TSHRSMN1; SMN2GAAALOX15KDM4E
SCHEMBL6753141 0.81 ALDH1A1 (0.60) KDM4EGLAPOLBHPGDALDH1A1
SCHEMBL7535968 0.81 SMN1; SMN2 (0.45) TSHRSMN1; SMN2GAAALOX15KDM4E

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