SCHEMBL29118533

SCHEMBL29118533

CCCCCc1cc(F)c2c(c1)sc1cc(OCCC)c(F)c(F)c12

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ LPAR2 Q9HBW0 1/20 0.32
▸ PTGS2 P35354 4/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HTT P42858 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ APAF1 O14727 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ACE2 Q9BYF1 1/20 0.30
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ RAD52 P43351 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL20828899 0.81 — —
SCHEMBL20819697 0.79 L3MBTL1 (0.39) S1PR2S1PR1S1PR3LPAR2CYP3A4
SCHEMBL29118537 0.78 S1PR1 (0.33) S1PR2S1PR1S1PR3LPAR2THRB
SCHEMBL20828969 0.75 ESR1 (0.33) MAPTL3MBTL1NPSR1
SCHEMBL20828647 0.71 — —
SCHEMBL6911178 0.71 CNR1 (0.32) S1PR2S1PR1S1PR3LPAR2PTGS2
SCHEMBL30617453 0.67 RARB (0.37) S1PR2S1PR1S1PR3LPAR2HTT
SCHEMBL20819699 0.67 RARB (0.37) S1PR2S1PR1S1PR3LPAR2HTT
SCHEMBL27959518 0.67 PTGS2 (0.54) PTGS2CYP3A4HTTMAPK1NPC1
SCHEMBL22011181 0.66 PGAM1 (0.42) L3MBTL1

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
CN-111094513-B Derivatives of dibenzofuran and dibenzothiophene 默克专利股份有限公司 2023-11-03 — — CN disclosed
CN-111094513-A Dibenzofurane and dibenzothiophene derivatives 默克专利股份有限公司 2020-05-01 — — CN disclosed
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