SCHEMBL28811897

SCHEMBL28811897

CCOC(=O)c1ccccc1NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.55
KDM4E B2RXH2 8/20 0.55
ALDH1A1 P00352 6/20 0.55
HSD17B10 Q99714 4/20 0.55
LMNA P02545 3/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.51
TSHR P16473 4/20 0.50
MAPK10 P53779 1/20 0.50
CNR2 P34972 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL119223 0.85 EPHX2 (0.60) EPHX2KDM4EKMT2AL3MBTL1
SCHEMBL29401765 0.85 EPHX2 (0.60) EPHX2KDM4EKMT2AL3MBTL1
SCHEMBL29913938 0.85 EPHX2 (0.60) EPHX2KDM4EKMT2AL3MBTL1
SCHEMBL15186931 0.84 RAB9A (0.60) EPHX2ALDH1A1HSD17B10LMNAKMT2A
SCHEMBL31126834 0.83 KDM4E (0.68) KDM4EALDH1A1HSD17B10LMNAKMT2A
SCHEMBL2860044 0.83 KDM4E (0.68) KDM4EALDH1A1HSD17B10LMNAKMT2A
SCHEMBL29342668 0.82 EPHX2 (0.57) EPHX2KMT2ATP53
SCHEMBL9588677 0.82 EPHX2 (0.56) EPHX2ALDH1A1KMT2AHTTL3MBTL1
SCHEMBL569859 0.82 EPHX2 (0.54) EPHX2KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL8088703 0.81 EPHX2 (0.56) EPHX2ALDH1A1KMT2AHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114736131-A Synthetic method of bromfenac sodium 郑州灏瑞医药科技有限公司 2022-07-12 CN claimed
CN-114736131-A Synthetic method of bromfenac sodium 郑州灏瑞医药科技有限公司 2022-07-12 CN disclosed
CN-114736131-A Synthetic method of bromfenac sodium 郑州灏瑞医药科技有限公司 2022-07-12 CN disclosed