SCHEMBL15799019

SCHEMBL15799019

CCOC(=O)[C@H]1CC1c1ccc(C)nc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.41
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
IDO1 P14902 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
TSHR P16473 1/20 0.38
CHRNA7 P36544 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL17259176 1.00 NAMPT (0.41) NAMPTMAPTPKMIDO1CYP1A2
SCHEMBL15799018 1.00 NAMPT (0.41) NAMPTMAPTPKMIDO1CYP1A2
SCHEMBL15805103 1.00 NAMPT (0.41) NAMPTMAPTPKMIDO1CYP1A2
SCHEMBL30577416 0.87 KMT2A (0.50) MAPTPKMKMT2A
SCHEMBL17259086 0.87 KMT2A (0.50) MAPTPKMKMT2A
SCHEMBL25004995 0.87 KMT2A (0.50) MAPTPKMKMT2A
SCHEMBL30577414 0.87 KMT2A (0.50) MAPTPKMKMT2A
SCHEMBL15799143 0.87 KMT2A (0.50) MAPTPKMKMT2A
SCHEMBL18518791 0.87 KMT2A (0.50) MAPTPKMKMT2A
SCHEMBL15799144 0.87 KMT2A (0.50) MAPTPKMKMT2A

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-2931708-B1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF DIVERCHIM (FR) 2017-05-10 EP disclosed
EP-2931708-A2 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF Diverchim (FR) 2015-10-21 EP disclosed
WO-2014091167-A2 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF DIVERCHIM (FR) 2014-06-19 WO disclosed