SCHEMBL7976176

SCHEMBL7976176

O[C@@H]([C@H](O)[C@@H](COCc1ccc(OCc2ccccc2)cc1)OCc1ccc(F)cc1)[C@@H](COCc1ccc(OCc2ccccc2)cc1)OCc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 1/20 0.49
RECQL P46063 1/20 0.49
NR4A2 P43354 1/20 0.48
GPR34 Q9UPC5 2/20 0.46
MAOB P27338 8/20 0.46
APP P05067 1/20 0.46
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
PARP10 Q53GL7 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
SCHEMBL7451503 0.96 LMNA (0.52) MEN1KMT2AALDH1A1RECQLNR4A2
SCHEMBL7456407 0.93 LMNA (0.51) NR4A2MAOBLMNACYP1A2PTGS1
SCHEMBL7509273 0.92 CA1 (0.47) MEN1KMT2A
SCHEMBL7989942 0.92 CA1 (0.47) MEN1KMT2A
SCHEMBL7989889 0.92 CA1 (0.47) MEN1KMT2A
SCHEMBL7456130 0.91 KMT2A (0.43) MEN1KMT2AALDH1A1RECQLNR4A2
SCHEMBL7511171 0.91 KMT2A (0.43) MEN1KMT2AALDH1A1RECQLNR4A2
SCHEMBL7509725 0.87 MAOB (0.47) MEN1KMT2AALDH1A1RECQLNR4A2
SCHEMBL7975758 0.86 MAOB (0.48) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL7992780 0.86 IDO1 (0.41) NR4A2MAOBAPPPARP10AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313164-B1 TO ENHANCE THE ACTIVITY OF GLUTATHIONE RECLUCTASE; FOR THERAPY AND PROPHYLAXIS OF CARTARACTS SANKYO COMPANY, LIMITED (JP) 2001-11-06 US disclosed
US-6313177-B1 AS ANTIVIRAL AGENTS PHARMACOR INC. (CA) 2001-11-06 US disclosed