SCHEMBL4049581

SCHEMBL4049581

OCc1ccc(COCc2ccc(F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.52
AGXT P21549 2/20 0.52
PTGS1 P23219 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 6/20 0.42
APP P05067 1/20 0.42
TSHR P16473 1/20 0.42
NR4A2 P43354 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
PARP10 Q53GL7 1/20 0.41
AR P10275 1/20 0.40

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
SCHEMBL7888039 0.88 IDO1 (0.64) IDO1AGXTKDM4EL3MBTL1MAOB
SCHEMBL6671514 0.88 TSHR (0.52) IDO1KDM4ETSHR
Hydroxyamine SCHEMBL8923579 0.86 IDO1 (0.62) IDO1AGXTKDM4EL3MBTL1MAOB
SCHEMBL15233235 0.85
SCHEMBL23462 0.85
Methane SCHEMBL27485154 0.83 PTGS1 (0.53) IDO1AGXTPTGS1MEN1KMT2A
SCHEMBL22304854 0.81 IDO1 (0.56) IDO1AGXTKDM4EL3MBTL1MAOB
SCHEMBL713596 0.81 MAOB (0.67) MEN1KMT2AMAOBAPPNR4A2
Ethylene SCHEMBL27825958 0.80 PTGS1 (0.52) IDO1AGXTPTGS1MEN1KMT2A
Hydroxyamine SCHEMBL8923569 0.80 LOXL2 (0.55) IDO1AGXTPTGS1MEN1KMT2A

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
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed