SCHEMBL31013146

SCHEMBL31013146

COc1ccc(C(N)(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCC(=O)c3cc(C)ccc3CN)cc2)c(OC)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ L3MBTL1 Q9Y468 4/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ FABP5 Q01469 1/20 0.33
▸ USP2 O75604 2/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.31

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
SCHEMBL8752790 0.84 NPC1 (0.41) KMT2AMEN1TSHRSMN1; SMN2LMNA
SCHEMBL28191790 0.84 NPC1 (0.39) KMT2AMEN1TSHRHTTSMN1; SMN2
SCHEMBL30679137 0.81 NPC1 (0.44) KMT2AMEN1HTTSMN1; SMN2LMNA
SCHEMBL28069714 0.81 FABP5 (0.45) KMT2AMEN1TSHRHTTSMN1; SMN2
SCHEMBL3485726 0.81 FABP5 (0.41) KMT2AMEN1TSHRHTTL3MBTL1
SCHEMBL29521535 0.80 MEN1 (0.49) KMT2AMEN1TSHRHTTSMN1; SMN2
SCHEMBL29385536 0.80 KMT2A (0.43) KMT2AMEN1TSHRHTTSMN1; SMN2
SCHEMBL6298097 0.78 FABP5 (0.41) KMT2AMEN1TSHRHTTSMN1; SMN2
SCHEMBL27082137 0.76 NPC1 (0.40) KMT2AMEN1TSHRHTTSMN1; SMN2
SCHEMBL20973955 0.75 NPC1 (0.40) KMT2AMEN1TSHRHTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111051332-B Immunomodulators 百时美施贵宝公司 2024-09-06 — — CN disclosed
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