SCHEMBL28811896

SCHEMBL28811896

CC(C)OC(C)C.O=C(Cl)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.46
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 3/20 0.37
HTR2B P41595 2/20 0.36
HTR7 P34969 1/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34

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
SCHEMBL29848427 0.91 PNMT (0.54) PNMTRAB9ANPC1ALDH1A1HTR2B
SCHEMBL29368791 0.91 PNMT (0.54) PNMTRAB9ANPC1ALDH1A1HTR2B
SCHEMBL135489 0.91 PNMT (0.54) PNMTRAB9ANPC1ALDH1A1HTR2B
Benzene SCHEMBL28021305 0.90 PNMT (0.53) PNMTRAB9ANPC1ALDH1A1HTR2B
Acetonitrile SCHEMBL28942670 0.86 PNMT (0.47) PNMTRAB9ANPC1ALDH1A1HTR2B
SCHEMBL28811943 0.82 PNMT (0.39) PNMTRAB9ANPC1ALDH1A1HTR2B
SCHEMBL8671794 0.82 PNMT (0.55) PNMTRAB9ANPC1ALDH1A1HTR2B
SCHEMBL7037299 0.81 PNMT (0.52) PNMTRAB9ANPC1ALDH1A1HTR2B
SCHEMBL27921405 0.81 PNMT (0.49) PNMTRAB9ANPC1ALDH1A1HTR2B
SCHEMBL7000069 0.81 PNMT (0.51) PNMTRAB9ANPC1ALDH1A1HTR2B

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