SCHEMBL27280517

SCHEMBL27280517

COC(=O)c1oc2ccc(-c3ccccc3)cc2c1OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
NR4A2 P43354 2/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 3/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 2/20 0.41
HTT P42858 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
MAPT P10636 2/20 0.41
EGFR P00533 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
AXL P30530 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
SCHEMBL9432934 0.89 RXRA (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9433730 0.86 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL27280515 0.82 KDM4E (0.44) KDM4ENR4A2ALDH1A1HPGDHSD17B10
SCHEMBL9433482 0.81 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9432759 0.80 EDNRA (0.54) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL6239909 0.79 KDM4E (0.45) KDM4ENR4A2ALDH1A1HPGDHSD17B10
SCHEMBL27280518 0.79 NR4A2 (0.44) KDM4ENR4A2ALDH1A1MEN1KMT2A
SCHEMBL9825828 0.77 PTGS1 (0.43) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL6243266 0.77 GAA (0.43) KDM4ENR4A2ALDH1A1HPGDHSD17B10
SCHEMBL27290346 0.76 KLKB1 (0.45) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2

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