SCHEMBL22180791

SCHEMBL22180791

COc1ccc(C(C)(C)c2ccc(Oc3ccc4c(c3)C(=O)OC4=O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
MAOA P21397 3/20 0.41
LTA4H P09960 1/20 0.40
CA2 P00918 2/20 0.39
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
EGFR P00533 1/20 0.36
GAPDH P04406 1/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
HPGD P15428 1/20 0.36
CA1 P00915 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL29395934 0.94 MAOA (0.45) MAOBMAOAMAPTTDP1L3MBTL1
SCHEMBL74437 0.94 MAOA (0.45) MAOBMAOAMAPTTDP1L3MBTL1
SCHEMBL24510001 0.91 MAOA (0.43) MAOBMAOAMAPTTDP1L3MBTL1
SCHEMBL22394445 0.90 MAOA (0.42) MAOBMAOAMAPTTDP1L3MBTL1
SCHEMBL1501421 0.90 MAOA (0.49) MAOBMAOAMAPTTDP1L3MBTL1
SCHEMBL10591993 0.89 MAOB (0.49) MAOBMAOALTA4HCA2MAPT
SCHEMBL22215240 0.89 MEN1 (0.43) MAOBMAOAMAPTTDP1L3MBTL1
SCHEMBL24949032 0.89 ESR1 (0.42) MAOBMAOAMAPTTDP1L3MBTL1
SCHEMBL15695721 0.87 MAOA (0.43) MAOBMAOAMAPTTDP1L3MBTL1
SCHEMBL17298634 0.86 MAOA (0.39) MAOBMAOAMAPTTDP1L3MBTL1

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-20200207913-A1 PHOSPHONIUM BROMIDE TERMINATED POLYIMIDE WITH HIGH TENSILE PROPERTIES SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2020-07-02 US disclosed