SCHEMBL8986472

SCHEMBL8986472

C[Al].O=C(O)Oc1ccccc1.O=C(O)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.54
MAPT P10636 3/20 0.50
ATM Q13315 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GAA P10253 2/20 0.50
HSP90AA1 P07900 1/20 0.50
ALOX15 P16050 2/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 1/20 0.45
NSD2 O96028 1/20 0.45
LMNA P02545 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
SCHEMBL37064 0.95 TDP1 (0.54) ELANEMAPTATML3MBTL1ALDH1A1
Acetic Acid SCHEMBL2234186 0.92 ELANE (0.57) ELANEMAPTATML3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL8603620 0.92 TDP1 (0.52) ELANEMAPTATML3MBTL1ALDH1A1
SCHEMBL28599729 0.92 TDP1 (0.52) ELANEMAPTATML3MBTL1ALDH1A1
SCHEMBL27812281 0.92 TDP1 (0.52) ELANEMAPTATML3MBTL1ALDH1A1
Ammonia Solution, Strong SCHEMBL10392312 0.92 TDP1 (0.52) ELANEMAPTATML3MBTL1ALDH1A1
SCHEMBL27397184 0.92 TDP1 (0.52) ELANEMAPTATML3MBTL1ALDH1A1
Ammonia Solution, Strong SCHEMBL28972528 0.92 TDP1 (0.52) ELANEMAPTATML3MBTL1ALDH1A1
SCHEMBL28045247 0.92 TDP1 (0.52) ELANEMAPTATML3MBTL1ALDH1A1
Fluoride SCHEMBL27906569 0.92 TDP1 (0.52) ELANEMAPTATML3MBTL1ALDH1A1

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
EP-0510602-B1 Living polymerization method KANSAI PAINT CO LTD (JP) 1996-06-26 EP claimed