SCHEMBL7451503

SCHEMBL7451503

Oc1ccc(COC[C@@H](OCc2ccc(F)cc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccc(OCc3ccccc3)cc2)OCc2ccc(F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
CYP1A2 P05177 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
CYP2C19 P33261 1/20 0.52
PTGS2 P35354 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HIF1A Q16665 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 2/20 0.46
RECQL P46063 2/20 0.46
MAPT P10636 2/20 0.45
BLM P54132 2/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
NR4A2 P43354 1/20 0.45
GPR34 Q9UPC5 2/20 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
SCHEMBL7976176 0.96 MEN1 (0.49) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7456407 0.90 LMNA (0.51) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7509273 0.89 CA1 (0.47) MEN1KMT2ATP53GAA
SCHEMBL7989942 0.89 CA1 (0.47) MEN1KMT2ATP53GAA
SCHEMBL7989889 0.89 CA1 (0.47) MEN1KMT2ATP53GAA
SCHEMBL7456130 0.88 KMT2A (0.43) LMNAMEN1KMT2AALDH1A1RECQL
SCHEMBL7511171 0.88 KMT2A (0.43) LMNAMEN1KMT2AALDH1A1RECQL
SCHEMBL7990123 0.87 ESR1 (0.39) LMNAMEN1KMT2AALDH1A1RECQL
SCHEMBL7989918 0.86 CA1 (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7509725 0.84 MAOB (0.47) MEN1KMT2AALDH1A1RECQLNR4A2

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
EP-1175385-A1 D-MANNITOL DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS Pharmacor Inc. (CA) 2002-01-30 EP disclosed
US-6313177-B1 AS ANTIVIRAL AGENTS PHARMACOR INC. (CA) 2001-11-06 US disclosed
WO-2000066524-A1 D-MANNITOL DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS PHARMACOR INC. (CA) 2000-11-09 WO disclosed