SCHEMBL13243078

SCHEMBL13243078

CC(C)C[C@@H](CO)NCc1ccccc1OC(C)[C@@H](CO)NCc1ccccc1O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CD274 Q9NZQ7 2/20 0.39
▸ MPO P05164 3/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CA12 O43570 5/20 0.35
▸ CA2 P00918 5/20 0.35
▸ CA9 Q16790 4/20 0.34
▸ TSHR P16473 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CXCR2 P25025 1/20 0.33
▸ CX3CR1 P49238 1/20 0.33
▸ ANPEP P15144 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL13243080 0.87 POLB (0.43) POLBMAPK1CD274MPOMEN1
SCHEMBL13243077 0.87 MAPK1 (0.51) POLBMAPK1MPOMEN1KMT2A
SCHEMBL13258583 0.87 MAPK1 (0.51) POLBMAPK1MPOMEN1KMT2A
SCHEMBL11977396 0.84 POLB (0.51) POLBMAPK1CD274MPOMEN1
SCHEMBL13243079 0.82 POLB (0.39) POLBMAPK1CD274MPOMEN1
SCHEMBL11977375 0.73 POLB (0.51) POLBMAPK1MPOMEN1KMT2A
SCHEMBL11977393 0.73 POLB (0.54) POLBMAPK1MPOMEN1KMT2A
SCHEMBL18706425 0.70 TSHR (0.50) POLBMAPK1MPOMEN1KMT2A
SCHEMBL18706424 0.70 TSHR (0.50) POLBMAPK1MPOMEN1KMT2A
SCHEMBL13243155 0.70 TSHR (0.50) POLBMAPK1MPOMEN1KMT2A

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
WO-2010093336-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-08-19 — — WO disclosed
WO-2010093327-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-08-19 — — WO disclosed
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