SCHEMBL10488237

SCHEMBL10488237

CC(=O)Oc1ccc2oc(C(=O)O)c(C)c2c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.68
MCL1 Q07820 2/20 0.60
ALDH1A1 P00352 5/20 0.57
GPR35 Q9HC97 1/20 0.53
RXFP1 Q9HBX9 1/20 0.51
HPGD P15428 5/20 0.50
NPC1 O15118 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 3/20 0.49
POLB P06746 2/20 0.49
GLA P06280 2/20 0.49
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
FLT3 P36888 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL4763073 0.85 KDM4E (0.78) KDM4EMCL1ALDH1A1RXFP1HPGD
SCHEMBL14541242 0.81 CA12 (0.58) KDM4EALDH1A1RXFP1HPGDNPC1
SCHEMBL9989066 0.79 KDM4E (0.80) KDM4EMCL1ALDH1A1GPR35HPGD
SCHEMBL8696622 0.78 KDM4E (0.74) KDM4EMCL1ALDH1A1GPR35HPGD
SCHEMBL1065472 0.78 MCL1 (0.71) KDM4EMCL1ALDH1A1GPR35HPGD
SCHEMBL10735951 0.77 MCL1 (0.65) KDM4EMCL1ALDH1A1GPR35HPGD
SCHEMBL11465493 0.77 KDM4E (0.50) KDM4EALDH1A1RXFP1HPGDNPC1
SCHEMBL5287590 0.76 MCL1 (0.69) KDM4EMCL1ALDH1A1GPR35HPGD
SCHEMBL8697696 0.76 KDM4E (0.70) KDM4EMCL1ALDH1A1GPR35HPGD
SCHEMBL4310466 0.75 MCL1 (0.67) KDM4EMCL1ALDH1A1GPR35RXFP1

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
JP-1199957-A None JP disclosed
JP-H01199957-A BENZOFURAN DERIVATIVE, CHROMENE DERIVATIVE AND MEDICINE THEREFROM MITSUI PETROCHEM IND LTD 1989-08-11 JP disclosed