SCHEMBL24041787

SCHEMBL24041787

COc1ccc(CCCOc2cccc(CCOSC)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.45
▸ SLC2A1 P11166 5/20 0.45
▸ SLC2A4 P14672 2/20 0.45
▸ SLC2A8 Q9NY64 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ KCNH2 Q12809 3/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ MAOB P27338 2/20 0.44
▸ IGF1R P08069 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SIGMAR1 Q99720 1/20 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
SCHEMBL24041797 0.89 MAOB (0.52) BCHESLC2A1CHRM2CHRM1CHRM3
SCHEMBL24041827 0.89 MAOA (0.46) BCHEKCNH2MAOBSIGMAR1
SCHEMBL24041813 0.88 BCHE (0.55) BCHEABCB1MAOBTDP1
SCHEMBL24041894 0.82 CYP4F2 (0.54) BCHESLC2A1SLC2A4SLC2A8CHRM2
SCHEMBL22964298 0.82 KDM4E (0.55) BCHESLC2A1SLC2A4SLC2A8CHRM2
SCHEMBL24041786 0.80 SLC2A1 (0.48) BCHESLC2A1SLC2A4SLC2A8CHRM2
SCHEMBL24041762 0.79 BCHE (0.50) BCHESLC2A1SLC2A4SLC2A8KCNH2
SCHEMBL24041834 0.76 ABCB1 (0.54) BCHEKCNH2ABCB1TDP1L3MBTL1
SCHEMBL24041798 0.75 CHRNA7 (0.50) KCNH2
SCHEMBL4949653 0.75 TAAR1 (0.67) CHRM2CHRM1CHRM3ABCB1MAOB

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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