SCHEMBL5705148

SCHEMBL5705148

CCOC(=O)NCCc1ccc(C)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.74
GLA P06280 1/20 0.74
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
NCOR2 Q9Y618 1/20 0.61
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
PLAAT3 P53816 2/20 0.51
PLAAT5 Q96KN8 2/20 0.51
PLAAT2 Q9NWW9 2/20 0.51

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
SCHEMBL14215541 0.92 GLA (0.74) KMT2AGLAHDAC3HDAC4HDAC1
SCHEMBL580001 0.88 GLA (0.72) KMT2AGLAHDAC3HDAC4HDAC1
SCHEMBL15468096 0.87 GLA (0.70) KMT2AGLAHDAC3HDAC4HDAC1
SCHEMBL793743 0.87 KMT2A (0.70) KMT2AGLAHDAC3HDAC4HDAC1
SCHEMBL159762 0.87 GLA (0.70) KMT2AGLAHDAC3HDAC4HDAC1
SCHEMBL29339723 0.87 KMT2A (0.70) KMT2AGLAHDAC3HDAC4HDAC1
SCHEMBL159731 0.87 GLA (0.70) KMT2AGLAHDAC3HDAC4HDAC1
SCHEMBL158220 0.86 HDAC3 (0.78) KMT2AGLAHDAC3HDAC4HDAC1
SCHEMBL20961904 0.86 KMT2A (0.59) KMT2AGLANPC1RAB9ASMN1; SMN2
SCHEMBL793998 0.85 GLA (1.00) KMT2AGLAHDAC3HDAC4HDAC1

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 15 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
US-5457229-A Reacting with chloro, bromo- or iodo-borane and tertiary amine in nonpolar solvent UNIVERSITY OF OTTAWA (CA) 1995-10-10 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
EP-0143320-A2 Method for the preparation of isocyanates by thermal decomposition of urethanes BASF Aktiengesellschaft (DE) 1985-06-05 EP disclosed
EP-0028724-B1 PROCESS FOR PREPARING ARYL ISOCYANATES BY THERMAL DECOMPOSITION OF ARYL URETHANES BASF Aktiengesellschaft (DE) 1984-09-12 EP 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
EP-0028724-A1 Process for preparing aryl isocyanates by thermal decomposition of aryl urethanes BASF Aktiengesellschaft (DE) 1981-05-20 EP disclosed