SCHEMBL29458129

SCHEMBL29458129

COc1cc(-c2noc(C)n2)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
S1PR1 P21453 8/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 2/20 0.42
S1PR3 Q99500 1/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL25384525 1.00 HTT (0.46) HTTL3MBTL1S1PR1SMN1; SMN2KDM4E
SCHEMBL29458246 0.82 L3MBTL1 (0.48) L3MBTL1S1PR1SMN1; SMN2NPC1TSHR
SCHEMBL25383967 0.82 L3MBTL1 (0.48) L3MBTL1S1PR1SMN1; SMN2NPC1TSHR
SCHEMBL25384944 0.82 L3MBTL1 (0.48) L3MBTL1SMN1; SMN2NPC1TSHRRAB9A
SCHEMBL29458225 0.82 L3MBTL1 (0.48) L3MBTL1SMN1; SMN2NPC1TSHRRAB9A
SCHEMBL14363621 0.79 HTT (0.68) HTTL3MBTL1SMN1; SMN2KDM4ENPC1
SCHEMBL25383675 0.79 L3MBTL1 (0.44) HTTL3MBTL1S1PR1TSHRRAB9A
SCHEMBL25383282 0.79 L3MBTL1 (0.44) L3MBTL1S1PR1S1PR3THRBTP53
SCHEMBL29458188 0.79 L3MBTL1 (0.44) HTTL3MBTL1S1PR1TSHRRAB9A
SCHEMBL25383470 0.78 L3MBTL1 (0.43) L3MBTL1NPC1TSHRRAB9ANFKB1

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-4225753-A1 POTENT AND SELCTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS Leukos Biotech, S.L. (ES) 2023-08-16 EP disclosed
WO-2022074103-A1 POTENT AND SELCTIVE COMPOUNDS AS SEROTONIN 1B RECEPTOR MODULATORS LEUKOS BIOTECH, S.L. (ES) 2022-04-14 WO disclosed