SCHEMBL31389274

SCHEMBL31389274

Cc1cc(OCCOc2cc(C(=O)O)nc3ccccc23)cc(C)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.55
▸ MCL1 Q07820 14/20 0.50
▸ BCL2 P10415 3/20 0.50
▸ BCL2L1 Q07817 1/20 0.50
▸ BAD Q92934 1/20 0.50
▸ PIN1 Q13526 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ BAK1 Q16611 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.44

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
SCHEMBL31389287 0.90 ALOX15 (0.46) ALOX15MCL1BCL2BCL2L1BAD
SCHEMBL30438659 0.81 ALOX15 (0.69) ALOX15KDM4EHPGD
SCHEMBL20515870 0.81 ALOX15 (0.69) ALOX15KDM4EHPGD
SCHEMBL30438115 0.79 ALOX15 (0.64) ALOX15HPGD
SCHEMBL31389263 0.78 ALOX15 (0.59) ALOX15MCL1BCL2BCL2L1BAD
SCHEMBL9384536 0.77 ALOX15 (0.62) ALOX15LMNAHPGD
SCHEMBL18528819 0.77 ALOX15 (0.70) ALOX15KDM4ELMNAHPGD
SCHEMBL31389285 0.77 ALOX15 (0.70) ALOX15KDM4ELMNAHPGD
SCHEMBL9385188 0.76 ALOX15 (0.61) ALOX15
SCHEMBL31389295 0.76 ALOX15 (0.61) ALOX15HPGD

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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