SCHEMBL7955398

SCHEMBL7955398

COC(=O)CCc1ccc(O)c(-n2nc3ccc(C(F)(F)F)cc3n2)c1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.34
IDH1 O75874 5/20 0.34
CSNK1D P48730 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
MLYCD O95822 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
RPS6KB2 Q9UBS0 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MCHR1 Q99705 1/20 0.32
APP P05067 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
SCHEMBL5693442 0.78 FFAR4 (0.40) IDH1FFAR4PPARDPPARANPC1
SCHEMBL6464710 0.77 KDM4E (0.40) PPARGPPARANPC1RAB9ARPS6KB2
SCHEMBL768820 0.75 GAA (0.41) S1PR1IDH1MEN1KMT2AMCHR1
SCHEMBL29353898 0.75 GAA (0.41) S1PR1IDH1MEN1KMT2AMCHR1
SCHEMBL135250 0.74 HDAC6 (0.38) PPARGPPARANPC1RAB9A
SCHEMBL7955396 0.72 FFAR4 (0.38) IDH1FFAR4PPARDPPARACNR1
SCHEMBL14462662 0.71 PPARA (0.45) IDH1FFAR4PPARGPPARDPPARA
SCHEMBL7247782 0.71 CNR1 (0.39) CNR1CNR2RPS6KB2KMT2A
SCHEMBL9491691 0.71 PPARA (0.47) FFAR4PPARGPPARDPPARAMLYCD
SCHEMBL1886068 0.71 PPARD (0.36) S1PR1IDH1PPARGPPARDPPARA

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
US-6271377-B1 Hydroxy-substituted N-alkoxy hindered amines and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORPORATION 2001-08-07 US disclosed