SCHEMBL27280522

SCHEMBL27280522

COC(=O)c1oc2ccc(OC)cc2c1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.74
SMN1; SMN2 Q16637 10/20 0.74
ALDH1A1 P00352 10/20 0.74
HPGD P15428 6/20 0.74
HSD17B10 Q99714 5/20 0.74
TP53 P04637 1/20 0.74
HTT P42858 1/20 0.74
NPC1 O15118 8/20 0.56
RAB9A P51151 8/20 0.56
MAPT P10636 5/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 1/20 0.55
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52

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
SCHEMBL9433482 0.89 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL27283285 0.88 KDM4E (0.61) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL6234986 0.88 KDM4E (0.61) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL10870541 0.87 KDM4E (0.61) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL719907 0.86 KDM4E (0.76) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL5734812 0.86 KDM4E (0.72) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL6240133 0.85 GAA (0.64) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL5735991 0.84 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL5734866 0.83 KDM4E (0.56) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL7000662 0.79 KDM4E (0.56) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10

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
CN-1007153-B PREPN. OF BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGY ACTIVITY WARNER LAMBERT CO (US) 1990-03-14 CN disclosed
CN-85109587-A Have the new benzothiophene kind of antiallergic activity and the preparation method of benzofuran compounds 1986-12-17 CN disclosed