SCHEMBL7471890

SCHEMBL7471890

COCCOC(=O)CC(=Cc1ccccc1)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
RECQL P46063 1/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSP90AA1 P07900 1/20 0.44
TSHR P16473 1/20 0.44
NR1I2 O75469 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MME P08473 2/20 0.38
ALDH1A1 P00352 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL7471879 1.00 KMT2A (0.45) KMT2AMEN1RECQLLMNAMAPT
SCHEMBL7471887 1.00 KMT2A (0.45) KMT2AMEN1RECQLLMNAMAPT
SCHEMBL7377043 0.85 RECQL (0.53) KMT2AMEN1RECQLMAPTNR1I2
SCHEMBL7431926 0.85 RECQL (0.53) KMT2AMEN1RECQLMAPTNR1I2
SCHEMBL7377051 0.85 RECQL (0.53) KMT2AMEN1RECQLMAPTNR1I2
SCHEMBL18172999 0.82 RECQL (0.50) KMT2AMEN1RECQLLMNAMAPT
SCHEMBL18173002 0.82 RECQL (0.50) KMT2AMEN1RECQLLMNAMAPT
SCHEMBL18172997 0.82 RECQL (0.50) KMT2AMEN1RECQLLMNAMAPT
SCHEMBL1914725 0.82 MEN1 (0.44) KMT2AMEN1RECQLLMNAMAPT
SCHEMBL1915838 0.80 RECQL (0.69) KMT2AMEN1RECQLMAPTNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889879-B1 BUTADIENE DERIVATIVES AND PROCESS FOR PREPARING THEREOF TANABE SEIYAKU CO (JP) 2002-06-12 EP disclosed
US-6248743-B1 ANTITHROMBOTIC AGENTS EFFECTIVE TO INHIBIT THE PRODUCTION OF TYPE 1 PLASMINOGEN ACTIVATOR INHIBITOR (PAI-1) TANABE SEIYAKU CO., LTD. (JP) 2001-06-19 US disclosed