SCHEMBL27534964

SCHEMBL27534964

OCOC(OCO)c1cc(OCc2ccccc2)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.48
▸ ALOX5 P09917 1/20 0.46
▸ CYP4F2 P78329 1/20 0.46
▸ CYP4A11 Q02928 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ RHEB Q15382 1/20 0.42
▸ GSTP1 P09211 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ P2RY14 Q15391 1/20 0.41
▸ NR4A2 P43354 2/20 0.41

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
SCHEMBL7385585 0.83 MAOB (0.50) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL30768511 0.80 MAOB (0.50) MAOBALOX5CYP4F2CYP4A11LMNA
SCHEMBL1805526 0.80 ALOX5 (0.56) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL25316002 0.80 MAOB (0.53) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL31069846 0.76 LMNA (0.67) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL281986 0.76 LMNA (0.67) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL30769482 0.76 MAOB (0.46) MAOBLMNALTA4HBACE1NR4A2
SCHEMBL3823883 0.75 MAOB (0.62) MAOBALOX5CYP4F2CYP4A11LMNA
SCHEMBL31748829 0.75 MAOB (0.54) MAOBALOX5CYP4F2CYP4A11LMNA
SCHEMBL4891252 0.73 MAOB (0.43) MAOBALOX5LMNACYP1A2PTGS1

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
CN-1087907-A Heteroaryl naphthalene as white (cell) triolefin biosynthesis inhibitor MERCK FROSST CANADA INC (CA) 1994-06-15 — — CN disclosed
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