SCHEMBL30679137

SCHEMBL30679137

COc1ccc(C(N)(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCC(=O)NCc3ccc(C)cc3)cc2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.44
▸ LMNA P02545 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HTT P42858 3/20 0.43
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ POLB P06746 2/20 0.38

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
SCHEMBL29521535 0.87 MEN1 (0.49) NPC1LMNAALDH1A1HTTHPGD
SCHEMBL29385536 0.86 KMT2A (0.43) NPC1LMNAALDH1A1HTTHPGD
SCHEMBL28191790 0.85 NPC1 (0.39) NPC1ALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL8752790 0.85 NPC1 (0.41) NPC1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL28069714 0.82 FABP5 (0.45) NPC1LMNAALDH1A1HTTHPGD
SCHEMBL6298097 0.82 FABP5 (0.41) LMNAALDH1A1HTTSMN1; SMN2GAA
SCHEMBL31013146 0.81 KMT2A (0.34) NPC1LMNAHTTSMN1; SMN2MEN1
SCHEMBL3485726 0.81 FABP5 (0.41) NPC1ALDH1A1HTTGAAMEN1
SCHEMBL27082137 0.81 NPC1 (0.40) NPC1LMNAALDH1A1HTTHPGD
SCHEMBL20973955 0.80 NPC1 (0.40) NPC1LMNAALDH1A1HTTHPGD

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-110267971-B Immunomodulators 百时美施贵宝公司 2023-12-19 — — CN disclosed
CN-110536696-B PCSK9 vaccine based on novel peptides 载度思生命科学有限公司 2023-11-24 — — CN disclosed
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