SCHEMBL28370615

SCHEMBL28370615

COC(=O)Cc1cc(C(C)C(=O)OC)ccc1Sc1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.45
ALDH1A1 P00352 1/20 0.39
MT-CO2 P00403 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
MMP14 P50281 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
BCL2 P10415 2/20 0.35
MCL1 Q07820 2/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7037491 0.88 AGBL2 (0.46) AGBL2MT-CO2PTGS1PTGS2MMP2
SCHEMBL28370764 0.81 MAOB (0.42) ALDH1A1MT-CO2PTGS1PTGS2CYP2C19
SCHEMBL9630038 0.81 AGBL2 (0.46) AGBL2PTGS1PTGS2MMP2MMP9
SCHEMBL28375579 0.80 AGBL2 (0.56) AGBL2MT-CO2PTGS1PTGS2MMP2
SCHEMBL7036240 0.79 POLB (0.46) AGBL2ALDH1A1MT-CO2PTGS1PTGS2
SCHEMBL7708631 0.78 L3MBTL1 (0.45) AGBL2ALDH1A1MMP2MMP9MMP12
SCHEMBL28370600 0.75 MT-CO2 (0.43) MT-CO2PTGS1PTGS2L3MBTL1HPGD
SCHEMBL11577641 0.73 MAPT (0.50) AGBL2ALDH1A1MMP2MMP9MMP12
SCHEMBL5148090 0.73 CYP1A2 (0.51) ALDH1A1MT-CO2PTGS1PTGS2SMN1; SMN2
SCHEMBL28370765 0.73 PTGS1 (0.42) MT-CO2PTGS1PTGS2CYP2C9CYP2C19

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-110590737-B Tritium-labeled zaltoprofen with high specific activity and preparation method thereof 华中农业大学 2021-04-13 CN claimed
CN-110590737-A Tritium-labeled zaltoprofen with high specific activity and preparation method thereof 华中农业大学 2019-12-20 CN claimed
CN-110590737-B Tritium-labeled zaltoprofen with high specific activity and preparation method thereof 华中农业大学 2021-04-13 CN disclosed
CN-110590737-A Tritium-labeled zaltoprofen with high specific activity and preparation method thereof 华中农业大学 2019-12-20 CN disclosed