SCHEMBL7753388

SCHEMBL7753388

O=C1c2ccccc2C(=O)c2c1ccc1c2C(=O)CC=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
ALDH1A1 P00352 8/20 0.42
MEN1 O00255 8/20 0.42
KMT2A Q03164 8/20 0.42
MAPK1 P28482 7/20 0.42
MAOA P21397 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
CYP3A4 P08684 3/20 0.42
ALOX12 P18054 2/20 0.42
MCL1 Q07820 2/20 0.42
RECQL P46063 2/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 1/20 0.42
BCL2 P10415 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42
DAPK1 P53355 1/20 0.42
CYP1B1 Q16678 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3922182 0.74 MAOA (0.43) MAPTALDH1A1MEN1KMT2AMAOA
SCHEMBL4761936 0.72 ALDH1A1 (0.38) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL249997 0.70 CES1 (0.45) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL29385734 0.70 CES1 (0.45) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL8791995 0.69 CES1 (0.54) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL6487919 0.69 CES1 (0.43) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL30676949 0.69 CES1 (0.43) MAPTALDH1A1MEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL2710070 0.69 MEN1 (0.43) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL30862184 0.69 CES1 (0.43) MAPTALDH1A1MEN1KMT2AMAPK1
Bromide SCHEMBL29181731 0.67 MEN1 (0.47) MAPTALDH1A1MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001019656-A BENZ[a]ANTHRACENE-1,7,12-TRIONE DERIVATIVE YAMANOUCHI PHARMACEUT CO LTD 2001-01-23 JP disclosed