SCHEMBL6400161

SCHEMBL6400161

O=C(NCc1ccccc1)C1=CCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
TSHR P16473 1/20 0.53
HPGD P15428 3/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PKM P14618 1/20 0.51
APEX1 P27695 1/20 0.50
MMP13 P45452 1/20 0.50
METAP2 P50579 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL29273743 0.87 EPHX1 (0.57) KMT2AHDAC2HDAC8HDAC6TSHR
SCHEMBL9717051 0.81 MMP13 (0.47) KMT2AHDAC2HDAC8HDAC6TSHR
SCHEMBL457082 0.75 HDAC6 (0.79) HDAC2HDAC8HDAC6HPGDLMNA
SCHEMBL11900090 0.75 HDAC6 (0.85) HDAC2HDAC8HDAC6TSHRHPGD
SCHEMBL31680569 0.75 KMT2A (0.89) KMT2AHDAC2HDAC8HDAC6TSHR
SCHEMBL11901003 0.75 KMT2A (0.89) KMT2AHDAC2HDAC8HDAC6TSHR
SCHEMBL23505783 0.73 KMT2A (0.49) KMT2AHDAC2HDAC8HDAC6TSHR
SCHEMBL1397072 0.73 KMT2A (0.49) KMT2AHDAC2HDAC8HDAC6TSHR
SCHEMBL10408103 0.73 KMT2A (0.49) KMT2AHDAC2HDAC8HDAC6TSHR
SCHEMBL14341076 0.73 NSD2 (0.49) KMT2AHDAC2HDAC8HDAC6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6906146-B2 COMPOSITIONS HAVING ETHYLENIC BACKBONE AND BENZYLIC, ALLYLIC, OR ETHER-CONTAINING SIDE-CHAINS, OXYGEN SCAVENGING COMPOSITIONS CONTAINING SAME, AND PROCESS FOR MAKING THESE COMPOSITIONS BY ESTERIFICATION OR TRANSESTERIFICATION OF A POLYMER MELT PHILLIPS PETROLEUM COMPANY (US) 2005-06-14 US disclosed
US-20030109643-A1 COMPOSITIONS HAVING ETHYLENIC BACKBONE AND BENZYLIC, ALLYLIC, OR ETHER-CONTAINING SIDE-CHAINS, OXYGEN SCAVENGING COMPOSITIONS CONTAINING SAME, AND PROCESS FOR MAKING THESE COMPOSITIONS BY ESTERIFICATION OR TRANSESTERIFICATION OF A POLYMER MELT CRYOVAC, INC. 2003-06-12 US disclosed
EP-0659195-B2 ETHYLENIC OXYGEN SCAVENGING COMPOSITIONS AND PROCESS FOR MAKING SAME BY ESTERIFICATION OR TRANSESTERIFICATION IN A REACTIVE EXTRUDER CHEVRON CHEM CO (US) 2002-05-08 EP disclosed
US-6323288-B1 USEFUL IN PACKAGING OR ADHESIVES APPLICATIONS CHEVRON PHILLIPS CHEMICAL COMPANY LP 2001-11-27 US disclosed
US-5859145-A MELT PROCESSING, TREATING WITH ESTERIFICATION COMPOUND CHEVRON CHEMICAL COMPANY (US) 1999-01-12 US disclosed
EP-0659195-B1 ETHYLENIC OXYGEN SCAVENGING COMPOSITIONS AND PROCESS FOR MAKING SAME BY ESTERIFICATION OR TRANSESTERIFICATION IN A REACTIVE EXTRUDER CHEVRON USA INC (US) 1998-06-10 EP disclosed
US-5736616-A ETHYLENE-ALKYL ACRYLATE COPOLYMER IS MODIFIED BY BENZYL ALCOHOL, BENZYLAMINE OR ALLYL ALCOHOL CHEVRON CHEMICAL COMPANY (US) 1998-04-07 US disclosed
EP-0830386-A1 COMPOSITIONS HAVING ETHYLENIC BACKBONE AND BENZYLIC, ALLYLIC, OR ETHER-CONTAINING SIDE-CHAINS, OXYGEN SCAVENGING COMPOSITIONS CONTAINING SAME, AND PROCESS FOR MAKING THESE COMPOSITIONS BY ESTERIFICATION OR TRANSESTERIFICATION OF A POLYMER MELT CHEVRON CHEMICAL COMPANY (US) 1998-03-25 EP disclosed
US-5627239-A Compositions having ethylenic backbone and benzylic, allylic, or ether-containing side-chains, oxygen scavenging compositions containing same, and process for making these compositions by esterification or transesterification of a polymer melt CHEVRON CHEMICAL COMPANY (US) 1997-05-06 US disclosed
WO-1996040799-A1 COMPOSITIONS HAVING ETHYLENIC BACKBONE AND BENZYLIC, ALLYLIC, OR ETHER-CONTAINING SIDE-CHAINS, OXYGEN SCAVENGING COMPOSITIONS CONTAINING SAME, AND PROCESS FOR MAKING THESE COMPOSITIONS BY ESTERIFICATION OR TRANSESTERIFICATION OF A POLYMER MELT CHEVRON CHEMICAL COMPANY (US) 1996-12-19 WO disclosed
EP-0659195-A1 ETHYLENIC OXYGEN SCAVENGING COMPOSITIONS AND PROCESS FOR MAKING SAME BY ESTERIFICATION OR TRANSESTERIFICATION IN A REACTIVE EXTRUDER CHEVRON U.S.A. INC. (US) 1995-06-28 EP disclosed
WO-1995002616-A9 ETHYLENIC OXYGEN SCAVENGING COMPOSITIONS AND PROCESS FOR MAKING SAME BY ESTERIFICATION OR TRANSESTERIFICATION IN A REACTIVE EXTRUDER 1995-04-27 WO disclosed
WO-1995002616-A2 ETHYLENIC OXYGEN SCAVENGING COMPOSITIONS AND PROCESS FOR MAKING SAME BY ESTERIFICATION OR TRANSESTERIFICATION IN A REACTIVE EXTRUDER CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1995-01-26 WO disclosed