SCHEMBL3422647

SCHEMBL3422647

O=C(NCc1cccc(CNC(=O)c2ccc(O)cc2)c1)c1ccc(O)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.62
ROCK1 Q13464 1/20 0.62
EGFR P00533 2/20 0.59
HDAC6 Q9UBN7 3/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
ERCC1 P07992 1/20 0.57
ERCC4 Q92889 1/20 0.57
NR1H4 Q96RI1 1/20 0.56
MLYCD O95822 1/20 0.56
HPGD P15428 2/20 0.56
ALDH1A1 P00352 1/20 0.56
SYK P43405 1/20 0.55
LMNA P02545 1/20 0.53
RAB9A P51151 1/20 0.53
HDAC1 Q13547 1/20 0.53
ESR1 P03372 1/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MMP13 P45452 1/20 0.53

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
SCHEMBL4927927 0.92 HASPIN (0.58) ROCK2ROCK1EGFRHDAC6HDAC2
SCHEMBL4483467 0.89 MMP13 (0.59) ROCK2ROCK1EGFRNR1H4HPGD
SCHEMBL2924662 0.87 HDAC6 (0.74) ROCK2ROCK1EGFRHDAC6HDAC2
SCHEMBL18063672 0.86 ALDH1A1 (0.56) ROCK2ROCK1EGFRHDAC6HDAC2
SCHEMBL11901042 0.85 HDAC6 (0.70) HDAC6HDAC2HDAC8ERCC1ERCC4
SCHEMBL24628486 0.85 ROCK2 (0.62) ROCK2ROCK1EGFRHDAC6HDAC2
SCHEMBL26816033 0.85 ROCK2 (0.62) ROCK2ROCK1EGFRHDAC6HDAC2
SCHEMBL24628975 0.85 ROCK2 (0.62) ROCK2ROCK1EGFRHDAC1
SCHEMBL4495476 0.85 MLYCD (0.80) ROCK2NR1H4MLYCDHPGDLMNA
SCHEMBL254400 0.85 ROCK2 (0.62) ROCK2ROCK1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542972-B1 HYDROXY-FUNCTIONAL POLY(AMIDE ETHERS) AS THERMOPLASTIC BARRIER RESINS DOW CHEMICAL CO (US) 1997-11-05 EP claimed
US-5134218-A Hydroxy-functional poly(amide ethers) as thermoplastic barrier resins THE DOW CHEMICAL COMPANY (US) 1992-07-28 US claimed
US-20100168377-A1 Catalytic conversion of amide compounds to methyl ether polymers and methyl ether ladder polymers CARTER TECHNOLOGIES (US) 2010-07-01 US disclosed
US-20080114150-A1 Catalytic conversion of carbonyl type compounds, including amides and others, to methyl ether polymers, substituted methyl ether polymers and methyl ether ladder polymers CARTER TECHNOLOGIES (US) 2008-05-15 US disclosed
EP-0542972-B1 HYDROXY-FUNCTIONAL POLY(AMIDE ETHERS) AS THERMOPLASTIC BARRIER RESINS DOW CHEMICAL CO (US) 1997-11-05 EP disclosed
EP-0542972-A1 HYDROXY-FUNCTIONAL POLY(AMIDE ETHERS) AS THERMOPLASTIC BARRIER RESINS THE DOW CHEMICAL COMPANY (US) 1993-05-26 EP disclosed
WO-1992021707-A1 HYDROXY-FUNCTIONAL POLY(AMIDE ETHERS) AS THERMOPLASTIC BARRIER RESINS THE DOW CHEMICAL COMPANY (US) 1992-12-10 WO disclosed
US-5143998-A HYDROXY-FUNCTIONAL POLY(AMIDE ETHERS) AS THERMOPLASTIC BARRIER RESINS THE DOW CHEMICAL COMPANY (US) 1992-09-01 US disclosed
US-5143998-A HYDROXY-FUNCTIONAL POLY(AMIDE ETHERS) AS THERMOPLASTIC BARRIER RESINS THE DOW CHEMICAL COMPANY (US) 1992-09-01 US disclosed
US-5134218-A Hydroxy-functional poly(amide ethers) as thermoplastic barrier resins THE DOW CHEMICAL COMPANY (US) 1992-07-28 US disclosed