SCHEMBL24041834

SCHEMBL24041834

COc1ccc(CCCOc2ccccc2CCOSC)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HPGD P15428 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ KCNH2 Q12809 1/20 0.44
▸ MTNR1B P49286 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ BCHE P06276 2/20 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
SCHEMBL24041899 0.88 ABCB1 (0.67) ABCB1L3MBTL1MAPTHPGDATM
SCHEMBL24041896 0.88 HTR1A (0.49) ABCB1L3MBTL1
SCHEMBL24041823 0.83 BCHE (0.46) ABCB1L3MBTL1MAPTHPGDATM
SCHEMBL24041794 0.82 ABCB1 (0.58) ABCB1L3MBTL1MAPTHPGDATM
SCHEMBL24041835 0.80 L3MBTL1 (0.52) ABCB1L3MBTL1MAPTHPGDATM
SCHEMBL24041787 0.76 BCHE (0.45) ABCB1L3MBTL1KCNH2TDP1BCHE
SCHEMBL24041848 0.75 ABCB1 (0.59) ABCB1L3MBTL1MAPTHPGDATM
SCHEMBL15515962 0.70 HTR1A (0.54) ABCB1L3MBTL1MAPTHPGDATM
SCHEMBL15079417 0.70 MAPT (0.61) ABCB1L3MBTL1MAPTHPGDATM
SCHEMBL20131148 0.69 IDO1 (0.55) L3MBTL1KCNH2

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
EP-3912972-A1 SOCE INHIBITORS AND THERAPEUTIC USES THEREOF Centre Hospitalier Régional et Universitaire de Brest (FR) 2021-11-24 — — EP disclosed
Send feedback