SCHEMBL26084136

SCHEMBL26084136

COc1ccc(C(=O)COc2ccc(N3C(=O)C4C5C=CC(C6CC56)C4C3=O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.64
▸ KMT2A Q03164 3/20 0.62
▸ MEN1 O00255 1/20 0.55
▸ NPC1 O15118 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ HPGD P15428 2/20 0.53
▸ GLA P06280 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TRIP13 Q15645 1/20 0.46

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
SCHEMBL26110309 1.00 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1NPC1GAA
SCHEMBL31466742 1.00 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1NPC1GAA
SCHEMBL26108086 0.91 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1NPC1GAA
SCHEMBL26108825 0.91 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1NPC1GAA
SCHEMBL26083644 0.91 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1NPC1GAA
SCHEMBL26110277 0.90 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1NPC1GAA
SCHEMBL31466779 0.90 KMT2A (0.64) ALDH1A1KMT2AMEN1NPC1GAA
SCHEMBL26083655 0.90 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1NPC1GAA
SCHEMBL26110535 0.89 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1NPC1GAA
SCHEMBL26083642 0.89 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1NPC1GAA

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