SCHEMBL22288998

SCHEMBL22288998

Oc1cc(O)cc(Cc2cccs2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.46
▸ PTGS2 P35354 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.41
▸ ADRA2A P08913 2/20 0.40
▸ ADRA2B P18089 2/20 0.40
▸ ADRA2C P18825 2/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ADRA1D P25100 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ LTA4H P09960 1/20 0.38

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
SCHEMBL29064101 0.88 PTGS1 (0.47) PTGS1PTGS2L3MBTL1LMNA
SCHEMBL10525378 0.82 L3MBTL1 (0.55) PTGS1PTGS2L3MBTL1TAAR1ADRA2A
Phenol SCHEMBL5653416 0.77 L3MBTL1 (0.50) PTGS1PTGS2L3MBTL1CYP2C19CYP2C9
SCHEMBL6222184 0.77 CA1 (0.57) PTGS1PTGS2TAAR1ADRA2AADRA1D
SCHEMBL13416020 0.76 LMNA (0.47) PTGS1PTGS2L3MBTL1TAAR1ADRA2A
SCHEMBL28817472 0.76 PTGS1 (0.46) PTGS1PTGS2L3MBTL1TAAR1CYP2C9
SCHEMBL28998730 0.76 HPGD (0.46) PTGS1PTGS2L3MBTL1TAAR1ADRA1D
SCHEMBL559559 0.75 TAAR1 (0.56) L3MBTL1TAAR1ADRA2AADRA2BADRA2C
SCHEMBL4344300 0.74 CYP2C9 (0.50) PTGS1PTGS2L3MBTL1CYP2C19CYP2C9
SCHEMBL45228 0.74 LMNA (0.50) PTGS1PTGS2L3MBTL1TAAR1CYP2C19

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
WO-2020158590-A1 CARBONATE-OLEFIN BASED COPOLYMER AND COMPOSITION THEREOF 出光興産株式会社 2020-08-06 — — WO disclosed
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