SCHEMBL27799352

SCHEMBL27799352

COC(=O)Nc1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
TRPA1 O75762 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPT P10636 5/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
STAT1 P42224 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
ATM Q13315 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
SCHEMBL19022270 0.88 NR1I2 (0.44) SMN1; SMN2TRPA1HDAC3HDAC6MAPT
SCHEMBL4728410 0.86 EPHX2 (0.44) SMN1; SMN2TRPA1HDAC3HDAC6MAPT
SCHEMBL4726899 0.86 KDM4E (0.54) SMN1; SMN2MAPTHPGDLMNAHTT
SCHEMBL19061152 0.85 SMN1; SMN2 (0.39) SMN1; SMN2TRPA1MAPTHPGDNPC1
SCHEMBL22705389 0.85 TRPA1 (0.41) SMN1; SMN2TRPA1HDAC3HDAC6MAPT
SCHEMBL19022128 0.85 CYP1A2 (0.48) SMN1; SMN2TRPA1MAPTGAAL3MBTL1
SCHEMBL19037775 0.85 SMN1; SMN2 (0.39) SMN1; SMN2TRPA1HDAC3HDAC6MAPT
SCHEMBL23375439 0.82 KDM4E (0.51) SMN1; SMN2HDAC3HDAC6MAPTHPGD
SCHEMBL2097862 0.82 HDAC3 (0.59) SMN1; SMN2HDAC3HDAC6MAPTNPC1
SCHEMBL19022322 0.81 TRPA1 (0.36) SMN1; SMN2TRPA1HDAC3HDAC6MAPT

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
CN-101939339-A Detection of biomarkers ATERIS TECHNOLOGIES LLC 2011-01-05 CN disclosed