SCHEMBL30457570

SCHEMBL30457570

CC(C)c1ccc2sc(B3OC(C)(C)C(C)(C)O3)cc2c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
SCN4A P35499 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LMNA P02545 1/20 0.32
SNCA P37840 1/20 0.31
TRPA1 O75762 1/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1C Q13936 1/20 0.31
ESR2 Q92731 1/20 0.31
USP30 Q70CQ3 1/20 0.30
PDGFRB P09619 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL25234076 1.00 NPC1 (0.35) NPC1SCN4ARAB9ASMN1; SMN2LPL
SCHEMBL13721705 0.79 MAPK1 (0.34) LPLLIPGSNCAUSP30
SCHEMBL16010464 0.79 LPL (0.42) NPC1RAB9ALPLLIPGSNCA
SCHEMBL17669989 0.79 PDGFRB (0.35) NPC1RAB9ASMN1; SMN2LPLLIPG
SCHEMBL119228 0.76 LPL (0.44) LPLLIPGHDAC3HDAC1HDAC2
SCHEMBL4339028 0.75 CYP2A6 (0.41) LPLLIPGSNCAPDGFRBKDR
SCHEMBL20984011 0.75 LIPG (0.51) LPLLIPGSNCAPDGFRBKDR
SCHEMBL4291980 0.75 PDGFRB (0.39) SCN4ALPLLIPGHDAC6SNCA
SCHEMBL12162014 0.74 LPL (0.35) LPLLIPGSNCA
SCHEMBL15581069 0.74 LPL (0.45) LPLLIPGSNCAPDGFRBKDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4447963-A1 SELECTIVE PHD1 INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Akebia Therapeutics Inc. (US) 2024-10-23 EP disclosed
WO-2023111990-A1 SELECTIVE PHD1 INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed