SCHEMBL31566290

SCHEMBL31566290

CC(=O)Oc1ccc2cc(-c3ccc4ccccc4c3)c(=O)oc2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.81
▸ RAB9A P51151 6/20 0.81
▸ GLA P06280 5/20 0.81
▸ KDM4E B2RXH2 4/20 0.81
▸ MEN1 O00255 1/20 0.81
▸ KMT2A Q03164 1/20 0.81
▸ GAPDH P04406 5/20 0.65
▸ MIF P14174 1/20 0.64
▸ GAA P10253 3/20 0.60
▸ HPGD P15428 2/20 0.60
▸ CASP1 P29466 2/20 0.60
▸ CASP7 P55210 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ MAOB P27338 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.57
▸ CA12 O43570 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL14880118 0.90 NPC1 (1.00) NPC1RAB9AGLAKDM4EMEN1
SCHEMBL15286102 0.90 NPC1 (0.85) NPC1RAB9AGLAKDM4EMEN1
SCHEMBL20288536 0.86 NPC1 (0.79) NPC1RAB9AGLAKDM4EMEN1
SCHEMBL16520513 0.86 NPC1 (0.79) NPC1RAB9AGLAKDM4EMEN1
SCHEMBL21761543 0.85 NPC1 (0.78) NPC1RAB9AGLAKDM4EMEN1
SCHEMBL18523591 0.85 NPC1 (0.77) NPC1RAB9AGLAKDM4EMEN1
SCHEMBL8115599 0.85 NPC1 (0.77) NPC1RAB9AGLAKDM4EMEN1
SCHEMBL30108440 0.84 NPC1 (0.71) NPC1RAB9AGLAKDM4EMEN1
SCHEMBL28581210 0.84 NPC1 (0.71) NPC1RAB9AGLAKDM4EMEN1
SCHEMBL23316813 0.83 NPC1 (0.74) NPC1RAB9AGLAKDM4EMEN1

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-119959172-A Preparation method of hydrazine probe for detecting wastewater 郑州大学 2025-05-09 — — CN claimed
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