SCHEMBL29375277

SCHEMBL29375277

Nc1cc2ccccc2cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
STAT3 P40763 1/20 0.53
HTT P42858 1/20 0.53
MAOB P27338 3/20 0.52
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
GAA P10253 1/20 0.52
MAOA P21397 1/20 0.52
RAB9A P51151 1/20 0.52
LTA4H P09960 1/20 0.50
MAPK14 Q16539 1/20 0.50
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MPO P05164 1/20 0.47
APP P05067 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
DCPS Q96C86 1/20 0.45
CYP3A4 P08684 2/20 0.45
HTR1A P08908 1/20 0.44

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
SCHEMBL3002216 1.00 ALOX5 (0.55) ALOX5SMN1; SMN2STAT3HTTMAOB
SCHEMBL629848 0.89 ALOX5 (0.65) ALOX5SMN1; SMN2MAOBMAPTL3MBTL1
SCHEMBL629661 0.89 ALOX5 (0.65) ALOX5SMN1; SMN2MAOBMAPTL3MBTL1
SCHEMBL3133767 0.86 LTA4H (0.55) ALOX5SMN1; SMN2MAOBMAPTL3MBTL1
SCHEMBL30026191 0.86 MAOB (0.50) ALOX5SMN1; SMN2HTTMAOBMAPT
SCHEMBL22412158 0.86 MAOB (0.50) ALOX5SMN1; SMN2HTTMAOBMAPT
SCHEMBL22412255 0.86 MAOB (0.50) ALOX5SMN1; SMN2HTTMAOBMAPT
SCHEMBL30461784 0.86 MAOB (0.50) ALOX5SMN1; SMN2HTTMAOBMAPT
SCHEMBL23539106 0.85 SMN1; SMN2 (0.46) ALOX5SMN1; SMN2STAT3HTTMAOB
SCHEMBL30559872 0.85 SMN1; SMN2 (0.46) ALOX5SMN1; SMN2STAT3HTTMAOB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116348455-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2023-06-27 CN disclosed
CN-116332873-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2023-06-27 CN disclosed
CN-114025844-B Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2022-07-26 CN disclosed
CN-114025844-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2022-02-08 CN disclosed