SCHEMBL7989824

SCHEMBL7989824

Oc1ccc(CO[C@H](COCc2ccccc2F)[C@@H](O)[C@H](O)[C@@H](COCc2ccccc2F)OCc2ccc(O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ESR1 P03372 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
ALOX12 P18054 1/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ESR2 Q92731 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IDO1 P14902 2/20 0.38
MAOB P27338 3/20 0.38
GRIN2B Q13224 2/20 0.37
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL7987648 0.92 HSP90AA1 (0.39) ALDH1A1MEN1TP53GAAKMT2A
SCHEMBL7989289 0.92 CA1 (0.42) ALDH1A1MEN1TP53GAAKMT2A
SCHEMBL7989311 0.90 CA1 (0.44) ALDH1A1MEN1TP53GAAKMT2A
SCHEMBL7989863 0.90 IDO1 (0.36) ALDH1A1MEN1TP53GAAKMT2A
SCHEMBL7987303 0.90 HSP90AA1 (0.43) ALDH1A1MEN1TP53GAAKMT2A
SCHEMBL7986153 0.90 LMNA (0.39) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL7447822 0.88 HSP90AA1 (0.44) MEN1TP53GAAKMT2AKDM4E
SCHEMBL7986279 0.87 CA1 (0.45) ALDH1A1MEN1TP53KMT2AMAPT
SCHEMBL7975758 0.86 MAOB (0.48) MAOBPRMT5WDR77SCN9ASCN3A
SCHEMBL7976011 0.86 CA1 (0.45) MEN1TP53GAAKMT2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313177-B1 AS ANTIVIRAL AGENTS PHARMACOR INC. (CA) 2001-11-06 US disclosed