SCHEMBL9645979

SCHEMBL9645979

ON=Cc1cccc2c1OCO2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.45
MAOB P27338 4/20 0.43
ABCG2 Q9UNQ0 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALOX12 P18054 1/20 0.39
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
AOC3 Q16853 1/20 0.36
TSHR P16473 2/20 0.34
FGF23 Q9GZV9 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 2/20 0.34
EED O75530 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
PKM P14618 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9670572 1.00 GSK3B (0.45) GSK3BMAOBABCG2KDM4EALOX12
SCHEMBL7228549 0.81 GSK3B (0.45) GSK3BMAOBABCG2KDM4EAOC3
SCHEMBL4803778 0.79 GSK3B (0.49) GSK3BMAOBABCG2KDM4EALDH1A1
SCHEMBL7440354 0.77 AOC3 (0.36) GSK3BALDH1A1AOC3LMNAPKM
SCHEMBL29706697 0.76 GSK3B (0.54) GSK3BMAOBABCG2KDM4EALDH1A1
SCHEMBL161792 0.76 GSK3B (0.54) GSK3BMAOBABCG2KDM4EALDH1A1
SCHEMBL10430712 0.75 POLB (0.42) HPGDAOC3HTTLMNAPOLB
SCHEMBL10430946 0.75 POLB (0.42) HPGDAOC3HTTLMNAPOLB
SCHEMBL10732537 0.75 GSK3B (0.40) GSK3BMAOBABCG2KDM4EALDH1A1
SCHEMBL2187434 0.75 BAD (0.35) GSK3BMAOBABCG2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5173496-A Antiinflammatory agents ICI PHARMA (FR) 1992-12-22 US disclosed
EP-0284174-B1 THERAPEUTIC PREPARATIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-29 EP disclosed
EP-0284174-A1 Therapeutic preparations IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-28 EP disclosed