SCHEMBL6853096

SCHEMBL6853096

CCOC(=O)/C=C/c1ccc(/C=C/C(=O)OCC)c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
MAPT P10636 4/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
TTR P02766 1/20 0.50
DPP4 P27487 1/20 0.50
ESR1 P03372 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
SCHEMBL11218812 1.00 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL6853099 0.94 HCAR2 (0.51) CA12CA1CA2CA7CA9
SCHEMBL14290541 0.92 TTR (0.55) CA12CA1CA2CA7CA9
SCHEMBL21449475 0.91 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL12035855 0.90 CAPN1 (0.59) MAPTKDM4EMEN1KMT2ACYP3A4
SCHEMBL2689193 0.90 CAPN1 (0.59) MAPTKDM4EMEN1KMT2ACYP3A4
SCHEMBL10783189 0.87 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL2690695 0.87 HDAC8 (0.55) CA12CA1CA2CA7CA9
SCHEMBL2690696 0.87 HDAC8 (0.55) CA12CA1CA2CA7CA9
SCHEMBL6854797 0.87 CCNC (0.56) CA12CA1CA2CA7CA9

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 5 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
EP-0040177-B1 PROCESS FOR THE PREPARATION OF BENZENE OR NAPHTHALENE ALKENYL CARBOXYLIC ACID DERIVATIVES CIBA-GEIGY AG (CH) 1983-07-20 EP disclosed
US-4335054-A Process for the preparation of alkenylbenzenecarboxylic acid derivatives and alkenylnaphthalenecarboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1982-06-15 US disclosed