SCHEMBL31389290

SCHEMBL31389290

COC(=O)c1cc(OCc2ccc(C(C)(C)C)cc2)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.47
▸ ADAM17 P78536 1/20 0.46
▸ NR4A2 P43354 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NR4A1 P22736 1/20 0.45
▸ NR4A3 Q92570 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ RXRA P19793 2/20 0.43
▸ RXRB P28702 2/20 0.43
▸ RXRG P48443 1/20 0.43
▸ XDH P47989 1/20 0.43

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
SCHEMBL31389232 0.90 ALOX15 (0.56) ALOX15ADAM17NR4A2RAB9AL3MBTL1
SCHEMBL31389266 0.90 ALOX15 (0.55) ALOX15ADAM17MAPTTP53TDP1
SCHEMBL31389283 0.88 NR4A2 (0.46) ALOX15ADAM17NR4A2RAB9AL3MBTL1
SCHEMBL31389256 0.87 ALOX15 (0.50) ALOX15ADAM17MAPTTP53TDP1
SCHEMBL31389310 0.87 MEN1 (0.56) RAB9AL3MBTL1
SCHEMBL31389265 0.86 MAPT (0.50) ALOX15ADAM17L3MBTL1MAPTTP53
SCHEMBL31389289 0.86 MAPT (0.58) ALOX15ADAM17MAPTTP53TDP1
SCHEMBL31389236 0.86 MAPT (0.58) ALOX15ADAM17L3MBTL1MAPTTP53
SCHEMBL31389296 0.86 ALOX15 (0.52) ALOX15ADAM17MAPTTDP1
SCHEMBL31389238 0.80 ALOX15 (0.57) ALOX15TP53

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-119264047-A Quinoline derivative histone deacetylase inhibitor and preparation method and application thereof 山东大学 2025-01-07 — — CN disclosed
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