SCHEMBL24041827

SCHEMBL24041827

CSOCCc1cccc(OCCCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.46
▸ MAOB P27338 3/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ BCHE P06276 3/20 0.45
▸ CYP4F2 P78329 1/20 0.44
▸ CYP4A11 Q02928 1/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43

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
SCHEMBL24041787 0.89 BCHE (0.45) MAOBKCNH2BCHESIGMAR1
SCHEMBL4568878 0.81 PPARA (0.58) MAOAMAOBDRD2DRD4DRD3
SCHEMBL20131148 0.81 IDO1 (0.55) MAOADRD3KCNH2SIGMAR1
SCHEMBL8757293 0.80 CA1 (0.44) —
SCHEMBL4568874 0.80 PPARG (0.57) BCHEFFAR1PPARGPPARA
SCHEMBL24041797 0.80 MAOB (0.52) MAOBKCNH2BCHEFFAR1SIGMAR1
SCHEMBL24041798 0.80 CHRNA7 (0.50) DRD2DRD4DRD3KCNH2FFAR1
SCHEMBL2207165 0.78 MAOA (0.53) MAOAMAOBDRD2DRD4DRD3
SCHEMBL8862908 0.78 MAOA (0.50) MAOAMAOBDRD2DRD4DRD3
SCHEMBL24041871 0.78 CYP4F2 (0.71) MAOAMAOBDRD2DRD4DRD3

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
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