SCHEMBL697644

SCHEMBL697644

CC(=O)c1ccc(Oc2cccc(CC=O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
HPGD P15428 1/20 0.56
RAB9A P51151 1/20 0.56
MAOB P27338 8/20 0.49
MAOA P21397 2/20 0.48
ESRRA P11474 1/20 0.47
TNKS O95271 1/20 0.45
PARP15 Q460N3 1/20 0.45
PARP14 Q460N5 1/20 0.45
PARP10 Q53GL7 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
MMP13 P45452 1/20 0.45
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
FURIN P09958 1/20 0.44
KMT2A Q03164 1/20 0.43
HTT P42858 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL2346173 0.85 MAPT (0.59) MAPTHPGDRAB9AMAOBMAOA
SCHEMBL26327986 0.84 MAPT (0.68) MAPTHPGDRAB9AMAOBMAOA
SCHEMBL4744025 0.84 MAPT (0.68) MAPTHPGDRAB9AMAOBMAOA
SCHEMBL5311815 0.81 KDM4E (0.51) HPGDMAOBMAOAKMT2AHTT
SCHEMBL564525 0.79 RAB9A (0.70) MAPTHPGDRAB9AMAOBMAOA
SCHEMBL26818700 0.78 MMP13 (0.53) MAPTHPGDRAB9AMAOBMAOA
SCHEMBL12253688 0.77 MAOB (0.50) RAB9AMAOBMAOAKMT2AALDH1A1
SCHEMBL4743462 0.77 MAPT (0.49) MAPTHPGDRAB9AMAOBMAOA
SCHEMBL24489414 0.76 MAPT (0.66) MAPTHPGDRAB9AMAOBESRRA
SCHEMBL13692140 0.76 MAPT (0.66) MAPTHPGDRAB9AMAOBMAOA

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-2421855-A1 DIARYL ETHERS Tibotec Pharmaceuticals (IE) 2012-02-29 EP disclosed
WO-2010122162-A1 DIARYL ETHERS TIBOTEC PHARMACEUTICALS (IE) 2010-10-28 WO disclosed