SCHEMBL29116864

SCHEMBL29116864

C=C(C)C(C)(O)C#Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.53
▸ APP P05067 1/20 0.41
▸ PMP22 Q01453 2/20 0.35
▸ BLM P54132 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ ASIC3 Q9UHC3 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MTOR P42345 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ VCP P55072 1/20 0.33

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
SCHEMBL29096081 0.81 HSD11B1 (0.37) MAPTAPPASIC3HTTLMNA
SCHEMBL29096086 0.81 ACACB (0.38) MAPTASIC3HTTLMNAKMT2A
SCHEMBL29096084 0.81 MAPT (0.43) MAPTNPSR1ASIC3LMNASMN1; SMN2
SCHEMBL29116861 0.81 RARB (0.46) MAPTASIC3HTTLMNASMN1; SMN2
SCHEMBL487465 0.81 MAPT (0.56) MAPTAPPNPSR1ASIC3NPC1
SCHEMBL29116860 0.81 GRM5 (0.42) MAPTASIC3
SCHEMBL29096090 0.80 KCNH2 (0.44) MAPTKCNH2KMT2A
SCHEMBL30597666 0.80 KCNH2 (0.44) MAPTKCNH2KMT2A
SCHEMBL10723498 0.78 MAPT (0.50) MAPTAPPNPSR1NPC1RAB9A
SCHEMBL18561130 0.78 MAPT (0.53) MAPTAPPASIC3HTTLMNA

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-116969820-A Method for realizing visible light-induced intramolecular alkynyl migration of 1, 4-eneyne compound and realizing unactivated olefin difunctional 哈尔滨工业大学 2023-10-31 — — CN disclosed
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