SCHEMBL27280515

SCHEMBL27280515

CCCOc1c(C(=O)OC)oc2ccc(-c3ccccc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
NR4A2 P43354 2/20 0.43
ALDH1A1 P00352 7/20 0.42
HPGD P15428 6/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CREB1 P16220 1/20 0.42
ABCB1 P08183 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
EGFR P00533 1/20 0.40
ANO1 Q5XXA6 1/20 0.39

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
SCHEMBL10870541 0.83 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL27280517 0.82 KDM4E (0.45) KDM4ENR4A2ALDH1A1HPGDHSD17B10
SCHEMBL6241692 0.79 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6239909 0.78 KDM4E (0.45) KDM4ENR4A2ALDH1A1HPGDHSD17B10
SCHEMBL6243266 0.78 GAA (0.43) KDM4ENR4A2ALDH1A1HPGDHSD17B10
SCHEMBL27290345 0.78 KDM4E (0.39) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6242074 0.77 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7074007 0.74 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL28409938 0.73 MAPT (0.50) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL10007918 0.73 KDM4E (0.58) KDM4EMEN1KMT2ASMN1; SMN2HTT

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