SCHEMBL29096084

SCHEMBL29096084

C=C(C)C(C)(O)C#Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ACACB O00763 1/20 0.38
▸ KCNH2 Q12809 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ ASIC3 Q9UHC3 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ TNIK Q9UKE5 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ EGFR P00533 1/20 0.30

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
SCHEMBL11217017 0.83 MAPT (0.55) MAPTSMN1; SMN2KMT2AMEN1KCNH2
SCHEMBL29096086 0.82 ACACB (0.38) MAPTKMT2AMEN1ACACBLMNA
SCHEMBL29116861 0.82 RARB (0.46) MAPTSMN1; SMN2KMT2AACACBLMNA
SCHEMBL29096081 0.82 HSD11B1 (0.37) MAPTKMT2ALMNAASIC3GRM5
SCHEMBL29116864 0.81 MAPT (0.53) MAPTSMN1; SMN2KMT2AKCNH2LMNA
SCHEMBL30597666 0.80 KCNH2 (0.44) MAPTKMT2AMEN1KCNH2GRM5
SCHEMBL29096090 0.80 KCNH2 (0.44) MAPTKMT2AMEN1KCNH2GRM5
SCHEMBL11554460 0.78 MAPT (0.51) MAPTSMN1; SMN2KMT2AMEN1KCNH2
SCHEMBL29116863 0.77 ACACB (0.46) MAPTACACB
SCHEMBL13597750 0.74 KCNH2 (0.44) MAPTSMN1; SMN2KMT2AMEN1ACACB

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-116969819-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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