SCHEMBL4782629

SCHEMBL4782629

Cc1ccc(C(=O)C=C2c3ccccc3C(=O)c3c(O)cccc32)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.46
TTR P02766 1/20 0.46
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ELANE P08246 1/20 0.43
CYP3A4 P08684 1/20 0.43
BRCA1 P38398 1/20 0.43
RECQL P46063 1/20 0.43
P4HB P07237 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MAOB P27338 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
SCHEMBL4780631 0.89 MAOA (0.49) MAOATTRMAPTMEN1KMT2A
SCHEMBL4778439 0.89 MAOA (0.51) MAOATTRMAPTMEN1KMT2A
SCHEMBL4798159 0.86 P4HB (0.51) P4HB
SCHEMBL4981956 0.86 ALDH1A1 (0.48) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL4795882 0.84 MAP3K7 (0.56) MAOATTRMAPTMEN1KMT2A
SCHEMBL4782134 0.82 MAP3K7 (0.56) MAOATTRMAPTMEN1KMT2A
SCHEMBL4796301 0.79 TGM2 (0.50) MAPTALDH1A1KDM4EP4HBSMN1; SMN2
SCHEMBL4797029 0.78 MAPT (0.47) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4796145 0.77 MAP3K7 (0.54) MAOATTRMAPTMEN1KMT2A
SCHEMBL4795380 0.76 MAPT (0.55) MAOAMAPTMEN1KMT2AALDH1A1

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
WO-2008015265-A1 ANTHRACEN DERIVATIVES AND THEIR USE FOR THE TREATMENT OF BENIGN AND MALIGNANT TUMOROUS DISEASES ÆTERNA ZENTARIS GMBH (DE) 2008-02-07 WO claimed
WO-2008015265-A1 ANTHRACEN DERIVATIVES AND THEIR USE FOR THE TREATMENT OF BENIGN AND MALIGNANT TUMOROUS DISEASES ÆTERNA ZENTARIS GMBH (DE) 2008-02-07 WO disclosed