SCHEMBL24041804

SCHEMBL24041804

Fc1ccc(CCOc2ccc(CCn3cnc4ccccc43)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.63
▸ LTA4H P09960 3/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ SMN1; SMN2 Q16637 8/20 0.59
▸ LMNA P02545 5/20 0.59
▸ TSHR P16473 2/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.56
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.53
▸ FFAR1 O14842 1/20 0.50
▸ PPARG P37231 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL24041743 0.92 HTT (0.76) HTTLTA4HL3MBTL1SMN1; SMN2LMNA
SCHEMBL24041863 0.89 HTT (0.62) HTTLTA4HL3MBTL1SMN1; SMN2LMNA
SCHEMBL24041777 0.89 HTT (0.62) HTTLTA4HL3MBTL1SMN1; SMN2LMNA
SCHEMBL24041750 0.88 L3MBTL1 (0.74) HTTLTA4HL3MBTL1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL30457596 0.88 HTT (0.60) HTTLTA4HL3MBTL1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL29006865 0.88 HTT (0.60) HTTLTA4HL3MBTL1SMN1; SMN2LMNA
SCHEMBL24041766 0.87 SMN1; SMN2 (0.72) HTTLTA4HL3MBTL1SMN1; SMN2LMNA
SCHEMBL24041805 0.86 HTT (0.74) HTTLTA4HL3MBTL1SMN1; SMN2LMNA
SCHEMBL24041832 0.83 LTA4H (0.56) HTTLTA4HL3MBTL1SMN1; SMN2LMNA
SCHEMBL24041782 0.82 HTT (0.60) HTTLTA4HL3MBTL1SMN1; SMN2LMNA

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
WO-2021233994-A1 SOCE INHIBITORS AND THERAPEUTIC USES THEREOF INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2021-11-25 — — WO disclosed
EP-3912972-A1 SOCE INHIBITORS AND THERAPEUTIC USES THEREOF Centre Hospitalier Régional et Universitaire de Brest (FR) 2021-11-24 — — EP disclosed
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