SCHEMBL11049864

SCHEMBL11049864

COC(=O)c1ccc(CC2CCCCC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
PARP1 P09874 1/20 0.48
GCK P35557 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
PPM1D O15297 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
PDE7A Q13946 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL24501221 0.83 MAPK1 (0.49) MAPK1PARP1TDP1POLBKMT2A
SCHEMBL11045319 0.82 KDM4E (0.56) TDP1KMT2AHDAC6KDM4EL3MBTL1
SCHEMBL11059897 0.82 KDM4E (0.56) TDP1KMT2AHDAC6KDM4EL3MBTL1
SCHEMBL11045604 0.81 SMN1; SMN2 (0.41) GCKTDP1POLBKMT2AHDAC6
SCHEMBL1698854 0.79 GPR119 (0.57) KDM4EALDH1A1LMNAHRH3
SCHEMBL11059205 0.79 GCK (0.36) MAPK1PARP1GCKTDP1POLB
SCHEMBL11113049 0.78 ACACB (0.43) GCKTDP1HPGD
SCHEMBL7883731 0.77 MAPK1 (0.62) MAPK1PARP1TDP1POLBKMT2A
SCHEMBL11059198 0.76 CHRM2 (0.43) POLBALDH1A1LMNAHRH3
SCHEMBL6963348 0.76 LOXL2 (0.54) TDP1PPM1DPOLBKMT2AALDH1A1

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-1984004302-A1 SUBSTITUTED PICOLINIC ACIDS, PROCESSES FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1984-11-08 WO disclosed