SCHEMBL1385947

SCHEMBL1385947

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(Cl)c2)C(=O)c2c(F)c(Cl)cc3cc[nH]c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 2/20 0.36
NR1H4 Q96RI1 2/20 0.34
SIGMAR1 Q99720 3/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
CENPE Q02224 6/20 0.34
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAOB P27338 1/20 0.32
ESRRB O95718 1/20 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
SCHEMBL1386801 0.91 SIGMAR1 (0.32) ESRRGTP53MAPTSIGMAR1MEN1
SCHEMBL1386433 0.91 TRPV1 (0.35) ESRRGTP53MAPTCENPEHDAC11
SCHEMBL1386237 0.90 ESRRG (0.34) ESRRGTP53MAPTHDAC11HDAC8
SCHEMBL1386968 0.89 MEN1 (0.37) ESRRGTP53MAPTNR1H4MEN1
SCHEMBL1397545 0.87 CCR9 (0.34) TP53MAPTSIGMAR1MEN1ALDH1A1
SCHEMBL1385936 0.86 LPAR1 (0.37) ESRRGTP53MAPT
SCHEMBL5529652 0.84 ESRRG (0.34) ESRRGTP53MAPTNR1H4SIGMAR1
SCHEMBL5530770 0.83 GRM5 (0.38) ESRRGTP53MAPTNR1H4SIGMAR1
SCHEMBL5530101 0.82 TRPM8 (0.34) ESRRGCENPE
SCHEMBL5529262 0.81 HDAC6 (0.35) ESRRGTP53MAPTNR1H4CENPE

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
JP-4787254-B2 2011-10-05 JP claimed