SCHEMBL31389252

SCHEMBL31389252

COc1ccc(COc2cc(C(=O)O)nc3ccccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.65
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ POLB P06746 3/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KDM4E B2RXH2 7/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ MAPT P10636 6/20 0.48
▸ HPGD P15428 5/20 0.48
▸ HTT P42858 3/20 0.48
▸ THRB P10828 1/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ RXRA P19793 1/20 0.47

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
SCHEMBL31389296 0.91 ALOX15 (0.52) ALOX15SMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL31389237 0.88 ALOX15 (0.64) ALOX15SMN1; SMN2HTTPTGER1MCL1
SCHEMBL2908552 0.88 ALOX15 (0.64) ALOX15SMN1; SMN2HTTPTGER1MCL1
Hydrochloric Acid SCHEMBL28687342 0.87 ALOX15 (0.62) ALOX15SMN1; SMN2HTTPTGER1MCL1
SCHEMBL31389259 0.86 ALOX15 (0.58) ALOX15RXRAMCL1ADAM17
SCHEMBL31389239 0.85 ALOX15 (0.57) ALOX15SMN1; SMN2MAPTHTTLMNA
SCHEMBL31389261 0.85 ALOX15 (0.57) ALOX15SMN1; SMN2POLBRAB9AMAPT
SCHEMBL31389294 0.85 ALOX15 (0.57) ALOX15MAPTLMNARXRAPTGER1
SCHEMBL31389232 0.84 ALOX15 (0.56) ALOX15RAB9ARXRAPTGER1ADAM17
SCHEMBL31425607 0.81 AGTR1 (0.49) SMN1; SMN2KDM4EALDH1A1MAPTHPGD

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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