SCHEMBL9800133

SCHEMBL9800133

CC(C)(C)C(=O)N(CCCc1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(CCCN(C(=O)C(C)(C)C)C3CCCCC3)c2F)c1F)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
HSD11B1 P28845 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL2837728 0.87 AGER (0.40) HSD11B1ALDH1A1
SCHEMBL9800108 0.83 OPRM1 (0.37)
SCHEMBL2834346 0.75 POLB (0.37)
SCHEMBL483253 0.75
SCHEMBL5666818 0.74 RIPK1 (0.34)
SCHEMBL9800270 0.74
SCHEMBL2831183 0.74 PPARG (0.30) PPARGPPARA
SCHEMBL9800157 0.73 MTNR1A (0.32)
SCHEMBL2833657 0.73 MC4R (0.34)
SCHEMBL9800199 0.73

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-5068371-A Photoinitiators for polymerization CIBA-GEIGY CORPORATION (US) 1991-11-26 US disclosed