SCHEMBL6572696

SCHEMBL6572696

O=C(O)C=CC(=Cc1ccccc1)C=C(CC(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
TSHR P16473 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HDAC3 O15379 1/20 0.41
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL5160749 0.85 CYP3A4 (0.45) RECQLTSHRCYP3A4CYP2C9CYP2C19
SCHEMBL5032754 0.78 RECQL (0.72) RECQLTSHRKDM4ECYP3A4CYP2C9
SCHEMBL27158696 0.78 RECQL (0.72) RECQLTSHRKDM4ECYP3A4CYP2C9
SCHEMBL166780 0.78 RECQL (0.72) RECQLTSHRKDM4ECYP3A4CYP2C9
SCHEMBL2224096 0.78 RECQL (0.72) RECQLTSHRKDM4ECYP3A4CYP2C9
SCHEMBL1172885 0.78 HDAC3 (0.58) RECQLTSHRCYP3A4CYP2C9CYP2C19
SCHEMBL30581088 0.78 HDAC3 (0.58) RECQLTSHRCYP3A4CYP2C9CYP2C19
SCHEMBL1456939 0.76 AKR1C3 (0.59) RECQLTSHRKDM4ECYP3A4CYP2C9
Aconitic Acid SCHEMBL323452 0.72 TSHR (0.86) RECQLTSHRKDM4ECYP2C19ALDH1A1
Aconitic Acid SCHEMBL323454 0.72 TSHR (0.86) RECQLTSHRKDM4ECYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185565-B1 BIOADHESIVE POLYMER COMPOSITIONS NOVEON IP HOLDINGS CORP (US) 2004-04-14 EP disclosed
EP-1185565-A1 BIOADHESIVE POLYMER COMPOSITIONS Noveon IP Holdings Corp. (US) 2002-03-13 EP disclosed
US-6297337-B1 HYDROGELS ARE PREFERABLY IONIC, AND MAY BE POLYCARBOXYLIC ACIDS, POLYSULFONIC ACIDS, SUCH AS SULFOALKYL METHACRYLATEPOLYMERS AND ACRYLIC ACID POLYMERS PMD HOLDINGS CORP. 2001-10-02 US disclosed
WO-2000069932-A1 BIOADHESIVE POLYMER COMPOSITIONS NOVEON IP HOLDINGS CORP. (US) 2000-11-23 WO disclosed
WO-2000056283-A1 INHIBITION OF MATRIX METALLOPROTEINASES WITH POLYMERS AND PHARMACEUTICAL APPLICATIONS THEREOF THE B.F.GOODRICH COMPANY (US) 2000-09-28 WO disclosed
EP-0592455-A1 IMPROVEMENTS IN WATER-SOLUBLE POLYMERS. GEL CHEM LTD (GB) 1994-04-20 EP disclosed
WO-1993000369-A1 IMPROVEMENTS IN WATER-SOLUBLE POLYMERS GEL-CHEM LIMITED (GB) 1993-01-07 WO disclosed