SCHEMBL10870541

SCHEMBL10870541

CCCOc1c(C(=O)OC)oc2ccc(OC)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.61
ALDH1A1 P00352 10/20 0.61
SMN1; SMN2 Q16637 8/20 0.61
HPGD P15428 6/20 0.61
HSD17B10 Q99714 4/20 0.61
TP53 P04637 1/20 0.61
HTT P42858 1/20 0.61
PLA2G2A P14555 1/20 0.49
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 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
SCHEMBL7074007 0.89 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL7076857 0.88 GAA (0.56) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL27280522 0.87 KDM4E (0.74) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL5734866 0.83 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL27280515 0.83 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL5735991 0.82 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL7000662 0.81 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL9433482 0.80 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL7001218 0.78 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL5734812 0.77 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10

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-0187487-A1 Benzothiophenes and benzofurans having antiallergic activity WARNER-LAMBERT COMPANY (US) 1986-07-16 EP disclosed