SCHEMBL6162288

SCHEMBL6162288

CCC(Oc1ccc(O)cc1)C(=O)NCc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.46
RIPK1 Q13546 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL28884365 0.85 POLB (0.58) SLC1A2RIPK1ALDH1A1TSHRMAPT
SCHEMBL4429916 0.78 MAOB (0.55) PPARGPPARAALDH1A1MAPTMEN1
SCHEMBL4429913 0.78 MAOB (0.55) PPARGPPARAALDH1A1MAPTMEN1
SCHEMBL14643369 0.76 SMN1; SMN2 (0.50) SLC1A2RIPK1PPARGPPARAALDH1A1
SCHEMBL2910863 0.74 SLC1A2 (0.59) SLC1A2RIPK1ALDH1A1TSHRMAPT
SCHEMBL4422878 0.74 ALDH1A1 (0.46) ALDH1A1TSHRMAPTHPGDMEN1
SCHEMBL4428660 0.74 ALDH1A1 (0.46) ALDH1A1TSHRMAPTHPGDMEN1
SCHEMBL2905073 0.74 SLC1A2 (0.65) SLC1A2RIPK1ALDH1A1TSHRMAPT
SCHEMBL1397059 0.73 RIPK1 (0.55) SLC1A2RIPK1ALDH1A1TSHRMAPT
SCHEMBL27472283 0.73 RIPK1 (0.55) SLC1A2RIPK1ALDH1A1TSHRMAPT

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-1517680-A1 BENZOIC ACID DERIVATIVES AS MODULATORS OF PPAR ALPHA AND GAMMA Astrazeneca AB (SE) 2005-03-30 EP disclosed
WO-2004000295-A1 BENZOIC ACID DERIVATIVES AS MODULATORS OF PPAR ALPHA AND GAMMA ASTRAZENECA AB (SE) 2003-12-31 WO disclosed