SCHEMBL30130333

SCHEMBL30130333

CCOc1ccc2oc3ccccc3c(=O)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.70
▸ NPC1 O15118 4/20 0.64
▸ RAB9A P51151 3/20 0.64
▸ POLB P06746 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ ACSL1 P33121 2/20 0.62
▸ ACSL6 Q9UKU0 2/20 0.62
▸ KDM4E B2RXH2 4/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ HPGD P15428 4/20 0.58
▸ XDH P47989 1/20 0.57
▸ MAPT P10636 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ CASP3 P42574 1/20 0.57
▸ SENP8 Q96LD8 1/20 0.57
▸ SENP7 Q9BQF6 1/20 0.57
▸ SENP6 Q9GZR1 1/20 0.57
▸ MAOB P27338 6/20 0.56
▸ HRH3 Q9Y5N1 6/20 0.56
▸ BCHE P06276 1/20 0.56

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
SCHEMBL392389 1.00 MAOA (0.70) MAOANPC1RAB9APOLBL3MBTL1
SCHEMBL6519242 0.91 MAOA (0.70) MAOANPC1RAB9AKDM4EALDH1A1
SCHEMBL8657871 0.88 ACSL1 (0.67) MAOANPC1RAB9APOLBL3MBTL1
SCHEMBL5030900 0.88 ACSL1 (0.70) MAOANPC1RAB9APOLBL3MBTL1
SCHEMBL27895770 0.85 ACSL1 (0.66) MAOANPC1RAB9APOLBL3MBTL1
SCHEMBL12240937 0.85 KDM4E (0.58) MAOANPC1RAB9APOLBL3MBTL1
SCHEMBL20594363 0.85 ACSL1 (0.72) MAOAACSL1ACSL6XDHMAOB
SCHEMBL20594290 0.85 ACSL1 (0.72) MAOAACSL1ACSL6XDHMAOB
SCHEMBL20594368 0.85 ACSL1 (0.72) MAOAACSL1ACSL6XDHMAOB
SCHEMBL20594883 0.85 ACSL1 (0.72) MAOAACSL1ACSL6XDHMAOB

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-115611926-B Non-sensitive bond bridged SN38 dimer prodrug, self-assembled nanoparticle thereof and application thereof 沈阳药科大学 2024-03-12 — — CN disclosed
CN-115611926-A Non-sensitive bond bridged SN38 dimer prodrug, self-assembled nanoparticles thereof and application 沈阳药科大学 2023-01-17 — — CN disclosed
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