SCHEMBL4781591

SCHEMBL4781591

COC(=O)CN(CCc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(=O)Oc1ccc(F)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR1 O14842 1/20 0.33
PREP P48147 2/20 0.33
PPARG P37231 5/20 0.33
PPARA Q07869 5/20 0.33
MMP13 P45452 2/20 0.32
MMP10 P09238 1/20 0.32
MMP8 P22894 1/20 0.32
PPARD Q03181 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
DRD2 P14416 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
SCHEMBL4778824 0.86 LPAR1 (0.42) ADRB3KDM4EPPARGPPARAPPARD
SCHEMBL4779393 0.85 ESR1 (0.39) SMN1; SMN2NPSR1LMNAKDM4EHTT
SCHEMBL4904400 0.80 PPARG (0.36) PREPPPARGPPARA
SCHEMBL4781589 0.80 PPARG (0.36) PREPPPARGPPARA
SCHEMBL14281859 0.72 PPARG (0.34) LMNAPREPPPARGPPARA
SCHEMBL7535671 0.70 F2RL1 (0.46) LMNAHTTPREPPPARGPPARD
SCHEMBL4977539 0.69 CA12 (0.46) PREP
SCHEMBL4780684 0.69 LPAR1 (0.45) MAPT
SCHEMBL3839217 0.67 CYP4F2 (0.50) SMN1; SMN2LMNAKDM4EHTTL3MBTL1
SCHEMBL4775931 0.66 ALDH1A1 (0.41) ADRB3SMN1; SMN2LMNAKDM4EL3MBTL1

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
WO-2008006044-A2 SUBSTITUTED ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed