SCHEMBL1386237

SCHEMBL1386237

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PTPN7 P35236 1/20 0.34
DUSP3 P51452 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
TRPM8 Q7Z2W7 4/20 0.34
TACR2 P21452 2/20 0.34
TACR1 P25103 2/20 0.34
TACR3 P29371 2/20 0.34
HDAC6 Q9UBN7 3/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC3 O15379 1/20 0.32
PDK1 Q15118 1/20 0.32
NR3C2 P08235 1/20 0.32
HDAC11 Q96DB2 2/20 0.31
S1PR1 P21453 1/20 0.31
BTK Q06187 1/20 0.31

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
SCHEMBL1386433 0.95 TRPV1 (0.35) ESRRGTP53MAPTLPAR1LPAR5
SCHEMBL1385947 0.90 ESRRG (0.36) ESRRGTP53MAPTHDAC6HDAC8
SCHEMBL1386968 0.89 MEN1 (0.37) ESRRGTP53MAPTLPAR1LPAR5
SCHEMBL5527991 0.83 PTPN7 (0.36) ESRRGTP53MAPTPTPN7DUSP3
SCHEMBL5528458 0.83 GRM5 (0.38) ESRRGTP53MAPTPTPN7DUSP3
SCHEMBL1385936 0.83 LPAR1 (0.37) ESRRGTP53MAPTLPAR1LPAR5
SCHEMBL1386856 0.81 PPARG (0.35) HDAC6HDAC8HDAC11
SCHEMBL5530729 0.81 NR3C2 (0.39) ESRRGTP53MAPTPTPN7DUSP3
SCHEMBL1386801 0.81 SIGMAR1 (0.32) ESRRGTP53MAPT
SCHEMBL12521098 0.81 TRPM8 (0.38) ESRRGTP53MAPTPTPN7DUSP3

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