SCHEMBL11077939

SCHEMBL11077939

Cc1cc(=O)oc2cc3oc(C(=O)O)cc(=O)c3cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.54
ALDH1A1 P00352 11/20 0.54
HPGD P15428 8/20 0.53
HSD17B10 Q99714 7/20 0.53
MCL1 Q07820 4/20 0.53
AKR1B1 P15121 3/20 0.53
CYP3A4 P08684 1/20 0.53
THRB P10828 1/20 0.53
MAOA P21397 3/20 0.52
USP2 O75604 1/20 0.50
CSNK2A2 P19784 1/20 0.50
PTGS1 P23219 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
CSNK2A3 Q8NEV1 1/20 0.50
GAA P10253 4/20 0.49
GLA P06280 3/20 0.49
CASP1 P29466 3/20 0.49
CASP7 P55210 3/20 0.49
MAPT P10636 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
SCHEMBL5559080 0.82 POLB (0.59) KDM4EALDH1A1AKR1B1THRBUSP2
SCHEMBL11077944 0.78 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL5085548 0.77 ALDH1A1 (0.59) KDM4EALDH1A1HPGDMCL1AKR1B1
SCHEMBL31081384 0.77 ALDH1A1 (0.59) KDM4EALDH1A1HPGDMCL1AKR1B1
SCHEMBL11098611 0.75 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL11743352 0.74 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL5563883 0.74 AKR1B1 (0.65) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL11072186 0.73 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL5084426 0.73 AKR1B1 (0.69) KDM4EALDH1A1HPGDAKR1B1THRB
SCHEMBL379054 0.73 ALDH1A1 (0.67) KDM4EALDH1A1HPGDHSD17B10AKR1B1

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
EP-0108036-A1 Benzopyranones CIBA-GEIGY AG (CH) 1984-05-09 EP claimed
EP-0108036-A1 Benzopyranones CIBA-GEIGY AG (CH) 1984-05-09 EP disclosed