SCHEMBL1386801

SCHEMBL1386801

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(Cl)c2)C(=O)c2c(F)c(Cl)cc3cc[nH]c23)c(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
CENPE Q02224 2/20 0.31
ESRRG P62508 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL1385947 0.91 ESRRG (0.36) SIGMAR1MEN1ALDH1A1TP53CYP1A2
SCHEMBL1397545 0.84 CCR9 (0.34) SIGMAR1MEN1ALDH1A1TP53CYP1A2
SCHEMBL1386433 0.83 TRPV1 (0.35) TP53MAPTCENPEESRRG
SCHEMBL1386856 0.83 PPARG (0.35) PPARGPPARDPPARASLC6A4
SCHEMBL1386237 0.81 ESRRG (0.34) TP53MAPTESRRG
SCHEMBL1386968 0.81 MEN1 (0.37) MEN1TP53CYP1A2MAPTCYP2C19
SCHEMBL1385936 0.78 LPAR1 (0.37) TP53MAPTPPARGPPARDPPARA
SCHEMBL1397829 0.76 CCR9 (0.36) MAOB
SCHEMBL5529652 0.76 ESRRG (0.34) SIGMAR1MEN1ALDH1A1TP53CYP1A2
SCHEMBL1397553 0.75 TRPM8 (0.35) MEN1KMT2APPARGPPARDPPARA

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