SCHEMBL26084139

SCHEMBL26084139

COc1ccc(C(=O)COc2ccc(N3C(=O)C4C(C3=O)C3C(O)C(O)C4C4CC43)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ ALDH1A1 P00352 6/20 0.48
▸ KMT2A Q03164 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GLA P06280 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MT-CO2 P00403 1/20 0.42
▸ ALOX5 P09917 1/20 0.42

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
SCHEMBL31466742 0.86 ALDH1A1 (0.64) NPC1GAARAB9AALDH1A1KMT2A
SCHEMBL26084136 0.86 ALDH1A1 (0.64) NPC1GAARAB9AALDH1A1KMT2A
SCHEMBL26110309 0.86 ALDH1A1 (0.64) NPC1GAARAB9AALDH1A1KMT2A
SCHEMBL26083593 0.84 NPC1 (0.70) NPC1GAARAB9AALDH1A1KMT2A
SCHEMBL26111371 0.84 NPC1 (0.70) NPC1GAARAB9AALDH1A1KMT2A
SCHEMBL26109411 0.81 NPC1 (0.61) NPC1GAARAB9AALDH1A1KMT2A
SCHEMBL26083588 0.81 NPC1 (0.61) NPC1GAARAB9AALDH1A1KMT2A
SCHEMBL26083644 0.77 ALDH1A1 (0.53) NPC1GAARAB9AALDH1A1KMT2A
SCHEMBL26108825 0.77 ALDH1A1 (0.53) NPC1GAARAB9AALDH1A1KMT2A
SCHEMBL26109436 0.77 ALDH1A1 (0.51) NPC1GAARAB9AALDH1A1KMT2A

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
Send feedback