SCHEMBL29386245

SCHEMBL29386245

C/C=C(\C)C(=O)OC(C)(C)C1Oc2ccc3ccc(=O)oc3c2C1OC(=O)/C=C/c1ccc(O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 14/20 0.76
▸ ALDH1A1 P00352 12/20 0.76
▸ HPGD P15428 11/20 0.76
▸ HTT P42858 3/20 0.76
▸ MAPT P10636 2/20 0.76
▸ POLB P06746 2/20 0.76
▸ NPY1R P25929 1/20 0.76
▸ NPY2R P49146 1/20 0.76
▸ LMNA P02545 3/20 0.51
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ABCB1 P08183 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ CYP3A4 P08684 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ RCE1 Q9Y256 1/20 0.43

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
SCHEMBL12236578 0.87 KDM4E (1.00) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL29565837 0.87 KDM4E (1.00) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL12236577 0.87 KDM4E (1.00) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL27932466 0.83 KDM4E (1.00) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL14864212 0.82 KDM4E (0.85) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL12259166 0.82 KDM4E (0.85) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL12236584 0.82 KDM4E (0.85) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL12236575 0.81 KDM4E (0.84) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL12236582 0.81 KDM4E (0.84) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL29934340 0.79 KDM4E (0.80) KDM4EALDH1A1HPGDHTTMAPT

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-112014494-B Method for separating eggliflozin and isomer thereof 上海柏狮生物科技有限公司 2022-11-04 — — CN disclosed
CN-111566112-B Crystal form of eggliflozin and preparation method thereof 广东东阳光药业有限公司 2022-02-15 — — CN disclosed
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