SCHEMBL29035969

SCHEMBL29035969

CC(=O)OCCn1ccc(=O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ NR2F2 P24468 1/20 0.44
▸ CREBBP Q92793 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ NR3C1 P04150 3/20 0.42
▸ PGR P06401 3/20 0.42
▸ NR3C2 P08235 3/20 0.42
▸ PKM P14618 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CNR2 P34972 2/20 0.40
▸ SLC18A3 Q16572 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8163392 0.81 MAPK1 (0.60) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL29744356 0.81 CNR2 (0.48) ALDH1A1NR3C1PGRNR3C2CNR2
SCHEMBL28760998 0.80 HTR2C (0.57) ALDH1A1NR2F2CREBBPSMN1; SMN2PKM
SCHEMBL27611518 0.79 PARP1 (0.43) ALDH1A1NR2F2CREBBPSMN1; SMN2PKM
SCHEMBL8653902 0.77 PDE5A (0.47) ALDH1A1NR3C1PGRNR3C2CNR2
SCHEMBL573394 0.75 PTGS2 (0.58) ALDH1A1PTGS2KMT2ASLC18A3KDM4E
SCHEMBL11697896 0.75 POLB (0.63) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL23497543 0.75 POLB (0.53) ALDH1A1NR2F2CREBBPSMN1; SMN2PTGS2
SCHEMBL31174785 0.75 NR3C1 (0.46) ALDH1A1SMN1; SMN2NR3C1PGRNR3C2
SCHEMBL29035976 0.74 RAB9A (0.61) ALDH1A1CREBBPSMN1; SMN2RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232070-B Quinolinone alkaloid derivative containing acylhydrazone group on 1-position nitrogen atom, and preparation method and application thereof 太原理工大学 2023-06-30 — — CN claimed
CN-115232070-A Quinolinone alkaloid derivative containing acylhydrazone group on 1-site nitrogen atom and preparation method and application thereof 太原理工大学 2022-10-25 — — CN claimed
CN-115232070-B Quinolinone alkaloid derivative containing acylhydrazone group on 1-position nitrogen atom, and preparation method and application thereof 太原理工大学 2023-06-30 — — CN disclosed
CN-115232070-B Quinolinone alkaloid derivative containing acylhydrazone group on 1-position nitrogen atom, and preparation method and application thereof 太原理工大学 2023-06-30 — — CN disclosed
CN-115232070-A Quinolinone alkaloid derivative containing acylhydrazone group on 1-site nitrogen atom and preparation method and application thereof 太原理工大学 2022-10-25 — — CN disclosed
CN-115232070-A Quinolinone alkaloid derivative containing acylhydrazone group on 1-site nitrogen atom and preparation method and application thereof 太原理工大学 2022-10-25 — — CN disclosed
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