SCHEMBL7305949

SCHEMBL7305949

[O]c1cc(O)cc2cccc(O)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.54
DNMT1 P26358 1/20 0.54
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
MCL1 Q07820 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
MAOA P21397 1/20 0.44
CDK2 P24941 2/20 0.44
MAPT P10636 2/20 0.44
THRB P10828 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 2/20 0.44
SNCA P37840 2/20 0.44
RECQL P46063 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
INPPL1 O15357 1/20 0.44

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
SCHEMBL29389056 0.80 ALDH1A1 (0.60) MEN1KMT2AALDH1A1DNMT1CACNA1B
SCHEMBL2023306 0.80 ALDH1A1 (0.60) MEN1KMT2AALDH1A1DNMT1CACNA1B
SCHEMBL9234732 0.75 MEN1 (0.54) MEN1KMT2AALDH1A1DNMT1CACNA1B
SCHEMBL9231524 0.75 KMT2A (0.54) MEN1KMT2AALDH1A1DNMT1CACNA1B
SCHEMBL3390578 0.75 GRIN2D (0.51) MEN1KMT2AALDH1A1DNMT1CACNA1B
SCHEMBL2052079 0.72 ALDH1A1 (0.61) MEN1KMT2AALDH1A1DNMT1CACNA1B
SCHEMBL29530611 0.72 ALDH1A1 (0.61) MEN1KMT2AALDH1A1DNMT1CACNA1B
SCHEMBL28038339 0.71 ALDH1A1 (0.44) MEN1KMT2AALDH1A1DNMT1CACNA1B
SCHEMBL3198 0.70 ALDH1A1 (1.00) MEN1KMT2AALDH1A1DNMT1CACNA1B
SCHEMBL7306652 0.70 NQO2 (0.61) MEN1KMT2AALDH1A1MAPTHPGD

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
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed