SCHEMBL11059205

SCHEMBL11059205

CCC(CC)(CCN)OC(=O)c1ccc(CC2CCCC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.36
CSF1R P07333 1/20 0.36
FLT3 P36888 1/20 0.36
MPC2 O95563 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
PPARG P37231 1/20 0.35
PARP1 P09874 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ACACB O00763 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 4/20 0.32
CNR2 P34972 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL11049864 0.79 MAPK1 (0.49) GCKPARP1HDAC6TDP1ALDH1A1
SCHEMBL11059897 0.70 KDM4E (0.56) HDAC6TDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL11045319 0.70 KDM4E (0.56) HDAC6TDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL11059198 0.70 CHRM2 (0.43) ALDH1A1POLBLMNACYP1A2CYP3A4
SCHEMBL11045604 0.69 SMN1; SMN2 (0.41) GCKHDAC6TDP1SMN1; SMN2POLB
SCHEMBL1698854 0.67 GPR119 (0.57) ALDH1A1KDM4ELMNAMAPTPKM
SCHEMBL27975171 0.67 VNN1 (0.44) CSF1RFLT3TDP1ALDH1A1MEN1
SCHEMBL24798653 0.67 LTA4H (0.37) GCKHDAC6TDP1TRPA1SMN1; SMN2
SCHEMBL24501221 0.66 MAPK1 (0.49) CSF1RFLT3CYP2C9PARP1TDP1
SCHEMBL11061422 0.66 P4HTM (0.59) TDP1ALDH1A1SMN1; SMN2MEN1KMT2A

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