SCHEMBL7992891

SCHEMBL7992891

O[C@@H]([C@H](O)[C@@H](COCc1ccccc1F)OCc1cccc(F)c1)[C@@H](COCc1ccccc1F)OCc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
IDO1 P14902 4/20 0.40
AGXT P21549 2/20 0.40
MAN2A1 Q16706 1/20 0.39
MAN1B1 Q9UKM7 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 7/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
NR4A2 P43354 1/20 0.35
TAAR1 Q96RJ0 2/20 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
SCHEMBL7989289 0.88 CA1 (0.42) IDO1MAOB
SCHEMBL7975882 0.87 MAN2A1 (0.46) KDM4ETDP1IDO1AGXTMAN2A1
SCHEMBL7986844 0.87 MAN2A1 (0.46) KDM4ETDP1IDO1AGXTMAN2A1
SCHEMBL7989311 0.87 CA1 (0.44) IDO1
SCHEMBL7987303 0.86 HSP90AA1 (0.43) KDM4ETDP1IDO1MAOB
SCHEMBL7987648 0.86 HSP90AA1 (0.39) KDM4ETDP1IDO1LMNAL3MBTL1
SCHEMBL7447822 0.85 HSP90AA1 (0.44) KDM4EIDO1L3MBTL1MAOB
SCHEMBL7989824 0.83 ALDH1A1 (0.39) KDM4EIDO1L3MBTL1MAOBMAPT
SCHEMBL7976011 0.83 CA1 (0.45) IDO1
SCHEMBL7986153 0.81 LMNA (0.39) KDM4ETDP1IDO1LMNAMAOB

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