SCHEMBL5708255

SCHEMBL5708255

Cc1cc(SCc2cccc3cnn(-c4cccc(C(F)(F)F)c4)c23)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPHX2 P34913 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
CCR1 P32246 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSP90AA1 P07900 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3964303 0.78 PPARD (0.58)
SCHEMBL3963245 0.78 PPARD (0.43)
SCHEMBL3957554 0.76 PPARD (0.55)
SCHEMBL3963610 0.76 PPARD (0.39)
SCHEMBL3961773 0.70 PPARD (0.47)
SCHEMBL5708177 0.69 NR3C1 (0.35) SMOMAPTRAB9ACYP11B1CYP11B2
SCHEMBL3964317 0.65 HIF1A (0.45) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL3964877 0.64 PPARD (0.42) CCR1
SCHEMBL3961089 0.64 PPARD (0.57)
SCHEMBL6152050 0.64 PPARD (0.34) KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed