SCHEMBL26083593

SCHEMBL26083593

COc1ccc(C(=O)COc2ccc(N3C(=O)C4C5C=C[C@H](C5)C4C3=O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.70
▸ GAA P10253 1/20 0.70
▸ RAB9A P51151 1/20 0.70
▸ CA1 P00915 2/20 0.64
▸ CA2 P00918 2/20 0.64
▸ ALDH1A1 P00352 5/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.63
▸ HTT P42858 1/20 0.56
▸ KMT2A Q03164 4/20 0.54
▸ MAPT P10636 1/20 0.54
▸ MEN1 O00255 1/20 0.53

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
SCHEMBL26111371 1.00 NPC1 (0.70) NPC1GAARAB9ACA1CA2
SCHEMBL26109411 0.93 NPC1 (0.61) NPC1GAARAB9ACA1CA2
SCHEMBL26083588 0.93 NPC1 (0.61) NPC1GAARAB9ACA1CA2
SCHEMBL31466742 0.87 ALDH1A1 (0.64) NPC1GAARAB9ACA1CA2
SCHEMBL26110309 0.87 ALDH1A1 (0.64) NPC1GAARAB9ACA1CA2
SCHEMBL26084136 0.87 ALDH1A1 (0.64) NPC1GAARAB9ACA1CA2
SCHEMBL10038052 0.84 CA1 (0.67) GAACA1CA2ALDH1A1SMN1; SMN2
SCHEMBL5512675 0.84 CA1 (0.67) GAACA1CA2ALDH1A1SMN1; SMN2
SCHEMBL26084139 0.84 NPC1 (0.51) NPC1GAARAB9ACA1CA2
SCHEMBL741706 0.83 NPC1 (1.00) NPC1GAARAB9ACA1CA2

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
WO-2023192782-A2 SMALL MOLECULE INHIBITORS OF LANOSTEROL SYNTHASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-10-05 — — WO disclosed
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