SCHEMBL26123782

SCHEMBL26123782

COc1ccc(C(N)(C(=O)OCc2cccc3c2Cc2ccccc2-3)c2ccc(OCC(=O)Nc3ccccc3N(C)c3ccccc3)cc2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ HCAR2 Q8TDS4 2/20 0.35
▸ GAA P10253 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL38665543 0.87 RAB9A (0.40) RAB9ANPC1ALDH1A1KDM4EL3MBTL1
SCHEMBL30381152 0.87 RAB9A (0.40) RAB9ANPC1ALDH1A1KDM4EL3MBTL1
SCHEMBL29714449 0.84 NPC1 (0.35) RAB9ANPC1ALDH1A1KDM4EL3MBTL1
SCHEMBL29387123 0.84 MAPT (0.34) RAB9ANPC1ALDH1A1KDM4EL3MBTL1
SCHEMBL28831144 0.83 NPC1 (0.35) RAB9ANPC1ALDH1A1KDM4EL3MBTL1
SCHEMBL14714715 0.82 RAB9A (0.36) RAB9ANPC1ALDH1A1KDM4EKMT2A
SCHEMBL31075128 0.79 ALDH1A1 (0.32) RAB9ANPC1ALDH1A1KDM4EL3MBTL1
SCHEMBL27082137 0.66 NPC1 (0.40) RAB9ANPC1ALDH1A1KDM4EL3MBTL1
SCHEMBL8752790 0.66 NPC1 (0.41) RAB9ANPC1KMT2ALMNASMN1; SMN2
SCHEMBL29385536 0.66 KMT2A (0.43) RAB9ANPC1ALDH1A1KMT2ANPSR1

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
WO-2023193727-A1 PHARMACEUTICAL USE OF POLYPEPTIDE IN PREPARATION OF DRUGS FOR TREATING AND/OR PREVENTING DIABETES AND OBESITY AND RELATED DISEASES THEREOF 广东众生睿创生物科技有限公司 2023-10-12 — — WO disclosed
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