SCHEMBL28272115

SCHEMBL28272115

COCOCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.63
BCHE P06276 6/20 0.55
CYP4F2 P78329 1/20 0.55
CYP4A11 Q02928 1/20 0.55
FFAR1 O14842 1/20 0.50
MAOA P21397 1/20 0.50
NR4A2 P43354 1/20 0.50
ALOX5 P09917 1/20 0.49

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
SCHEMBL2094987 0.86 MAOB (0.71) MAOBBCHECYP4F2CYP4A11FFAR1
SCHEMBL27252705 0.85 MAOB (0.74) MAOBBCHECYP4F2CYP4A11MAOA
SCHEMBL20067649 0.85 LMNA (0.56) MAOBBCHEFFAR1MAOAALOX5
SCHEMBL15761340 0.82 BCHE (0.70) MAOBBCHECYP4F2CYP4A11FFAR1
SCHEMBL3127292 0.82 TSHR (0.64) MAOB
SCHEMBL11163225 0.81 MAOB (0.58) MAOBBCHECYP4F2CYP4A11FFAR1
SCHEMBL6198914 0.80 CYP4F2 (0.51) MAOBBCHECYP4F2CYP4A11FFAR1
SCHEMBL15730033 0.80 MAOB (0.62) MAOBBCHE
SCHEMBL10434846 0.79 FFAR1 (0.52) MAOBBCHEFFAR1
SCHEMBL791445 0.79 CYP4F2 (0.66) MAOBBCHECYP4F2CYP4A11MAOA

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-109195608-A Boron-containing small molecules 比尔及梅琳达盖茨基金会 2019-01-11 CN disclosed