SCHEMBL30184529

SCHEMBL30184529

COc1cccc(C(=O)NC2CCOC(C)C2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.61
▸ ALDH1A1 P00352 3/20 0.55
▸ TSHR P16473 1/20 0.55
▸ HPGD P15428 2/20 0.53
▸ MAPK1 P28482 1/20 0.52
▸ RAB9A P51151 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MCHR1 Q99705 3/20 0.49
▸ CNR2 P34972 2/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ FAAH O00519 1/20 0.49
▸ PKM P14618 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48

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
SCHEMBL30098987 0.84 ALDH1A1 (0.63) GRM5ALDH1A1TSHRHPGDRAB9A
SCHEMBL21413719 0.83 GRM5 (0.67) GRM5ALDH1A1TSHRHPGDMAPK1
SCHEMBL2468483 0.82 NPC1 (0.71) GRM5ALDH1A1TSHRHPGDMAPK1
SCHEMBL1667825 0.79 RAB9A (0.73) GRM5ALDH1A1TSHRHPGDMAPK1
SCHEMBL11241115 0.78 RAB9A (0.75) GRM5ALDH1A1TSHRHPGDMAPK1
SCHEMBL30804720 0.78 GRM5 (0.60) GRM5ALDH1A1TSHRMAPK1RAB9A
SCHEMBL1711687 0.76 ALDH1A1 (0.63) GRM5ALDH1A1TSHRHPGDMAPK1
SCHEMBL29530916 0.76 ALDH1A1 (0.63) GRM5ALDH1A1TSHRHPGDMAPK1
SCHEMBL6455623 0.76 SMYD3 (0.69) GRM5ALDH1A1TSHRHPGDRAB9A
SCHEMBL6455626 0.76 SMYD3 (0.69) GRM5ALDH1A1TSHRHPGDRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384510-A1 COMPOUNDS TARGETING MUTANT OF P53 Jacobio Pharmaceuticals Co., Ltd. (CN) 2024-06-19 — — EP disclosed
CN-117813295-A Compounds targeting p53 mutants 北京加科思新药研发有限公司 2024-04-02 — — CN disclosed
WO-2023016434-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 — — WO disclosed
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