SCHEMBL69543

SCHEMBL69543

O=C(O)/C=C/c1ccccc1/C=C/C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.75
CA1 P00915 1/20 0.75
CA2 P00918 1/20 0.75
CA4 P22748 1/20 0.75
HDAC3 O15379 1/20 0.65
TNKS O95271 1/20 0.65
HDAC4 P56524 1/20 0.65
HDAC1 Q13547 1/20 0.65
HCAR2 Q8TDS4 1/20 0.65
HDAC7 Q8WUI4 1/20 0.65
HDAC2 Q92769 1/20 0.65
HDAC10 Q969S8 1/20 0.65
HDAC11 Q96DB2 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
TNKS2 Q9H2K2 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
HDAC9 Q9UKV0 1/20 0.65
HDAC5 Q9UQL6 1/20 0.65
HTT P42858 1/20 0.62
MAPT P10636 1/20 0.62

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
SCHEMBL459291 1.00 NFKB1 (0.75) NFKB1CA1CA2CA4HDAC3
SCHEMBL31197561 1.00 NFKB1 (0.75) NFKB1CA1CA2CA4HDAC3
Bromide SCHEMBL8376004 0.97 NFKB1 (0.72) NFKB1CA1CA2CA4HDAC3
Hydrochloric Acid SCHEMBL8374050 0.97 NFKB1 (0.72) NFKB1CA1CA2CA4HDAC3
SCHEMBL2313844 0.91 NFKB1 (0.64) NFKB1CA1CA2CA4HDAC3
SCHEMBL11121643 0.91 HCAR2 (0.75) NFKB1CA1CA2CA4HDAC3
SCHEMBL30451096 0.91 NFKB1 (0.64) NFKB1CA1CA2CA4HDAC3
SCHEMBL2313840 0.91 NFKB1 (0.64) NFKB1CA1CA2CA4HDAC3
SCHEMBL24284657 0.89 NFKB1 (0.62) NFKB1CA1CA2CA4HDAC3
SCHEMBL175543 0.89 NFKB1 (0.62) NFKB1CA1CA2CA4HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644232-B1 Free radical cured rubber GOODYEAR TIRE & RUBBER (US) 1997-03-05 EP claimed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
EP-0799827-B1 ACRYLAMIDE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2004-05-12 EP disclosed
US-5786486-A ANTIMICROBIAL, ANTITUMOR AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
EP-0799827-A1 ACRYLAMIDE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-10-08 EP disclosed