SCHEMBL30967833

SCHEMBL30967833

CCOC(=O)/C=C/c1cccc(C2(C(=O)O)CCOC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.52
▸ TTR P02766 1/20 0.44
▸ DPP4 P27487 1/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ PTGS2 P35354 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
SCHEMBL29237214 1.00 BACE1 (0.52) BACE1TTRDPP4ALOX5L3MBTL1
SCHEMBL30217340 1.00 BACE1 (0.52) BACE1TTRDPP4ALOX5L3MBTL1
SCHEMBL29237211 1.00 BACE1 (0.52) BACE1TTRDPP4ALOX5L3MBTL1
SCHEMBL15322749 0.88 BACE1 (0.58) BACE1TTRDPP4ALOX5L3MBTL1
SCHEMBL15322746 0.88 BACE1 (0.58) BACE1TTRDPP4ALOX5L3MBTL1
SCHEMBL15322548 0.78 BACE1 (0.49) BACE1TTRDPP4ALDH1A1OPRM1
SCHEMBL30967845 0.77 NPSR1 (0.41) ALOX5NPSR1ALDH1A1KDM4EOPRM1
SCHEMBL29237392 0.77 NPSR1 (0.41) ALOX5NPSR1ALDH1A1KDM4EOPRM1
SCHEMBL29237570 0.77 BACE1 (0.48) BACE1TTRDPP4ALOX5L3MBTL1
SCHEMBL30217190 0.77 OPRM1 (0.58) BACE1TTRDPP4NPSR1KDM4E

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-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 — — CN disclosed
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