SCHEMBL10965074

SCHEMBL10965074

O=Cc1cccc(-c2ccccc2)c1OCSc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD5 P21918 1/20 0.33
▸ DRD3 P35462 1/20 0.33

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
SCHEMBL1638769 0.78 PTGER1 (0.46) MAPTHTTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL12961813 0.77 CA1 (0.41) MAPTHTTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL10913527 0.77 ALDH1A1 (0.46) MAPTHTTALDH1A1SMN1; SMN2HPGD
SCHEMBL9428743 0.77 ADRB2 (0.40) HTTL3MBTL1ALDH1A1SMN1; SMN2HPGD
SCHEMBL9219398 0.77 PTGDR2 (0.58) L3MBTL1PTGDR2KMT2ATDP1GAA
SCHEMBL12646895 0.75 KDM4E (0.44) HTTL3MBTL1ALDH1A1SMN1; SMN2HPGD
SCHEMBL7362517 0.75 ALDH1A1 (0.61) MAPTHTTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1642697 0.73 CA1 (0.56) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL3273244 0.73 CA1 (0.40) MAPTHTTALDH1A1SMN1; SMN2KMT2A
SCHEMBL11229642 0.72 CD274 (0.37) HTTALDH1A1SMN1; SMN2HPGDPTGDR2

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
US-4492703-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1985-01-08 — — US disclosed
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