SCHEMBL6852607

SCHEMBL6852607

O=C(O)/C=C/c1c2ccccc2c(/C=C/C(=O)O)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.60
HDAC3 O15379 1/20 0.60
TNKS O95271 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
TNKS2 Q9H2K2 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.52
NFKB1 P19838 1/20 0.52
FFAR1 O14842 1/20 0.47
CA12 O43570 1/20 0.45

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
SCHEMBL6852611 1.00 HCAR2 (0.60) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL11987685 0.90 HCAR2 (0.50) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL3704563 0.86 KDM4E (0.54) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL8854345 0.86 CYP2D6 (0.58) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL2818992 0.86 KDM4E (0.54) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL6851353 0.81 HCAR2 (0.53) HCAR2CA1CA2CA12DPP4
SCHEMBL6852509 0.79 NFKB1 (0.61) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL8726893 0.79 NFKB1 (0.61) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL69543 0.75 NFKB1 (0.75) HCAR2HDAC3TNKSHDAC4HDAC1
Cinnamic Acid SCHEMBL1706935 0.75 HCAR2 (1.00) HCAR2HDAC3TNKSHDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5670493-A ANGIOGENESIS INHIBITORS ADIR ET COMPAGNIE (FR) 1997-09-23 US disclosed