SCHEMBL10954512

SCHEMBL10954512

O=C(OC(=O)Oc1cccc2ccccc12)Oc1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MEN1 O00255 1/20 0.64
RAB9A P51151 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
ALDH1A1 P00352 4/20 0.61
HSD17B10 Q99714 3/20 0.61
GAA P10253 2/20 0.61
PGR P06401 1/20 0.61
PTGS1 P23219 1/20 0.61
MAPK1 P28482 1/20 0.61
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
MMP2 P08253 1/20 0.51
FABP3 P05413 5/20 0.50
FABP7 O15540 4/20 0.50
FABP5 Q01469 3/20 0.50
BCHE P06276 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ALOX5 P09917 2/20 0.49

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
SCHEMBL37865 0.92 ALDH1A1 (0.65) KMT2AMEN1RAB9AL3MBTL1ALDH1A1
SCHEMBL29901836 0.92 ALDH1A1 (0.65) KMT2AMEN1RAB9AL3MBTL1ALDH1A1
SCHEMBL1598809 0.85 HSD17B10 (0.67) KMT2AMEN1RAB9AL3MBTL1ALDH1A1
SCHEMBL29525161 0.85 HSD17B10 (0.67) KMT2AMEN1RAB9AL3MBTL1ALDH1A1
SCHEMBL7181428 0.83 ALDH1A1 (0.65) KMT2AMEN1RAB9AL3MBTL1ALDH1A1
SCHEMBL537475 0.83 ALDH1A1 (0.56) KMT2AMEN1RAB9AL3MBTL1ALDH1A1
SCHEMBL28654787 0.82 KMT2A (0.57) KMT2AMEN1RAB9AL3MBTL1ALDH1A1
SCHEMBL5706038 0.82 KMT2A (0.57) KMT2AMEN1RAB9AL3MBTL1ALDH1A1
SCHEMBL399266 0.82 ALDH1A1 (0.62) KMT2AMEN1RAB9AL3MBTL1ALDH1A1
SCHEMBL864919 0.82 ALDH1A1 (0.62) KMT2AMEN1RAB9AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0079004-B1 METHOD FOR THE PREPARATION OF ACYL CYANIDES BAYER AG (DE) 1986-04-16 EP disclosed
EP-0076985-B1 PROCESS FOR THE PREPARATION OF ALPHA-DICYANO-TRIMETHYLSILYLOXY COMPOUNDS BAYER AG (DE) 1985-06-05 EP disclosed
EP-0019285-B1 PROCESS FOR PREPARING ASYMMETRICAL VAT DYESTUFFS OF THE ANTHRAQUINONE SERIES AND THEIR USE IN DYEING AND PRINTING CIBA-GEIGY AG (CH) 1984-05-09 EP disclosed
EP-0043490-B1 PREPARATION OF ACYL CYANIDES BAYER AG (DE) 1983-09-28 EP disclosed
EP-0079004-A1 Method for the preparation of acyl cyanides BAYER AG (DE) 1983-05-18 EP disclosed
EP-0076985-A1 Process for the preparation of alpha-dicyano-trimethylsilyloxy compounds BAYER AG (DE) 1983-04-20 EP disclosed
EP-0043490-A1 Preparation of acyl cyanides BAYER AG (DE) 1982-01-13 EP disclosed
EP-0025166-A1 Process for preparing vat dyestuffs of the anthraquinone series, their use in dyeing and printing preparations and in dyeing and printing CIBA-GEIGY AG (CH) 1981-03-18 EP disclosed
EP-0019285-A1 Process for preparing asymmetrical vat dyestuffs of the anthraquinone series and their use in dyeing and printing CIBA-GEIGY AG (CH) 1980-11-26 EP disclosed