SCHEMBL10686141

SCHEMBL10686141

O=C(O)CC(=O)Cc1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
KEAP1 Q14145 2/20 0.48
MAOA P21397 1/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
POLB P06746 4/20 0.44
NSD2 O96028 1/20 0.44
BLM P54132 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 3/20 0.44
THRB P10828 2/20 0.44
ELANE P08246 1/20 0.43
MAPT P10636 6/20 0.43
MAPK1 P28482 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PKM P14618 1/20 0.43
PABPC1 P11940 2/20 0.42
EGFR P00533 1/20 0.42
RAB9A P51151 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
SCHEMBL11102725 0.87 ALDH1A1 (0.56) ALDH1A1L3MBTL1KEAP1MAOAMEN1
SCHEMBL2956925 0.80 ALDH1A1 (0.56) ALDH1A1L3MBTL1KEAP1MAOAMEN1
SCHEMBL2079708 0.80 KEAP1 (0.53) ALDH1A1L3MBTL1KEAP1MEN1KMT2A
SCHEMBL19202478 0.80 MAPT (0.48) ALDH1A1L3MBTL1KEAP1MAOAMEN1
SCHEMBL10348575 0.79 ALDH1A1 (0.44) ALDH1A1L3MBTL1KEAP1MAOAMEN1
SCHEMBL5679908 0.79 MAOA (0.53) ALDH1A1L3MBTL1KEAP1MAOAMEN1
SCHEMBL11814014 0.79 KEAP1 (0.53) ALDH1A1L3MBTL1KEAP1MAOAMEN1
SCHEMBL11814983 0.78 L3MBTL1 (0.50) ALDH1A1L3MBTL1MAOAMEN1KMT2A
SCHEMBL8875574 0.78 PTGER1 (0.54) ALDH1A1L3MBTL1KEAP1MAOAMEN1
SCHEMBL27876964 0.77 MAPT (0.51) ALDH1A1L3MBTL1KEAP1MAOAMEN1

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
US-4740604-A HYDRAZONE DYE INTERMEDIATES CIBA-GEIGY CORPORATION (US) 1988-04-26 US disclosed