SCHEMBL9364280

SCHEMBL9364280

O=[C]OC(=O)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
PTPRF P10586 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
HPGD P15428 1/20 0.44
GSK3B P49841 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL1377356 0.78 CES2 (0.50) CES2CES1CA1CA2RAB9A
SCHEMBL15846816 0.78 LMNA (0.52) RAB9ANPC1MAPTLMNAKMT2A
SCHEMBL229639 0.77 LMNA (0.58) CES2CES1MAPTSMN1; SMN2LMNA
SCHEMBL3790497 0.77 CES2 (0.59) CES2CES1CA1CA2PTPRF
SCHEMBL246937 0.77 CES2 (0.59) CES2CES1CA1CA2PTPRF
SCHEMBL4625785 0.75 CA1 (0.64) CES2CES1CA1CA2RAB9A
SCHEMBL22775249 0.75 CES2 (0.56) CES2CES1CA1CA2PTPRF
SCHEMBL27861351 0.75 CES2 (0.56) CES2CES1CA1CA2PTPRF
SCHEMBL3961850 0.74 HSD17B10 (0.55) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL28541908 0.74 CYP2C9 (0.46) CA1CA2RAB9ANPC1MAPT

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-111065623-A Linker for antibody drug conjugates 德克萨斯州大学系统董事会 2020-04-24 CN disclosed
EP-0469045-B1 SYNTHETIC $i(PSEUDOMONAS) $i(AERUGINOSA) PILIN PEPTIDE AND RELATED VACCINES AND DIAGNOSTICS UNIV ALBERTA (CA) 1994-06-15 EP disclosed
EP-0119705-B1 OCTAPEPTIDE VASOPRESSIN ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-09-06 EP disclosed