SCHEMBL630637

SCHEMBL630637

COc1ccc([CH]Cc2ccccc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.53
RELA Q04206 3/20 0.53
TRPA1 O75762 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP2A6 P11509 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CASP3 P42574 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL2250015 0.81 TRPA1 (0.47) NFE2L2RELATRPA1ALDH1A1MAPT
SCHEMBL8397406 0.80 TAAR1 (0.45) NFE2L2ALDH1A1CYP2A6MEN1KMT2A
SCHEMBL10806504 0.78 L3MBTL1 (0.54) TRPA1ALDH1A1MAPTNPC1RAB9A
SCHEMBL5580077 0.75 LTA4H (0.57) TRPA1ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL11302811 0.74 SMN1; SMN2 (0.51) NFE2L2ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL21340831 0.74 MAOB (0.65) RELAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL8965499 0.73 MEN1 (0.43) NFE2L2RELAALDH1A1SMN1; SMN2MAPT
SCHEMBL5360664 0.72 NFE2L2 (0.61) NFE2L2RELAALDH1A1SMN1; SMN2MAPT
SCHEMBL1930129 0.72 ALDH1A1 (0.61) NFE2L2RELATRPA1ALDH1A1SMN1; SMN2
SCHEMBL2123173 0.72 LTA4H (0.57) NFE2L2TRPA1ALDH1A1SMN1; SMN2MAPT

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
EP-1534680-B1 PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE PHARMACO INVESTMENTS INC (US) 2012-02-22 EP disclosed