SCHEMBL31389295

SCHEMBL31389295

O=C(O)c1cc(OCCc2ccccc2)c2ccccc2n1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.61
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ NCF1 P14598 4/20 0.46
▸ ALOX5 P09917 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ P2RY12 Q9H244 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ FFAR1 O14842 1/20 0.41

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
SCHEMBL31389258 0.87 ALOX15 (0.52) ALOX15CNR1CNR2NCF1P2RY12
SCHEMBL5090505 0.86 PLA2G2A (0.48) ALOX15CNR1CNR2ALOX5PPARG
SCHEMBL2908552 0.86 ALOX15 (0.64) ALOX15
SCHEMBL30438115 0.86 ALOX15 (0.64) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL31389237 0.86 ALOX15 (0.64) ALOX15
SCHEMBL9384536 0.84 ALOX15 (0.62) ALOX15NCF1P2RY12ALDH1A1HPGD
Hydrochloric Acid SCHEMBL28687342 0.84 ALOX15 (0.62) ALOX15
SCHEMBL20515870 0.83 ALOX15 (0.69) ALOX15NCF1P2RY12ALDH1A1HPGD
SCHEMBL9385188 0.83 ALOX15 (0.61) ALOX15CNR2NCF1P2RY12
SCHEMBL30438659 0.83 ALOX15 (0.69) ALOX15NCF1P2RY12ALDH1A1HPGD

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
Send feedback