SCHEMBL7961253

SCHEMBL7961253

CCOC(=O)[C@H](CC(=O)O)[C@H]1CCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.49
CYP2D6 P10635 1/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 3/20 0.40
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
SLC6A4 P31645 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL7961254 1.00 FFAR1 (0.49) FFAR1CYP2D6MTNR1AMTNR1BSLC6A2
SCHEMBL8301035 0.88 PPARG (0.43) FFAR1PPARGPPARA
SCHEMBL7956194 0.84 CYP1A2 (0.53) FFAR1MTNR1AMTNR1BSLC6A3PPARG
SCHEMBL7956197 0.84 CYP1A2 (0.53) FFAR1MTNR1AMTNR1BSLC6A3PPARG
SCHEMBL8166235 0.82 PPARG (0.46) FFAR1MTNR1AMTNR1BSLC6A2SLC6A3
SCHEMBL31758112 0.80 FFAR1 (0.41) FFAR1SLC6A2SLC6A3PPARGPPARA
SCHEMBL29960692 0.79 ALDH1A1 (0.39) CYP2D6SLC6A2SLC6A3SLC6A4MEN1
SCHEMBL23934473 0.79 CYP2D6 (0.47) FFAR1CYP2D6SLC6A2SLC6A3SLC6A4
SCHEMBL8298173 0.78 PPARA (0.53) PPARGPPARA
SCHEMBL8802816 0.76 TSHR (0.50) FFAR1MEN1KMT2ACYP1A2TSHR

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-6262060-B1 TREATMENT OF HYPERGLYCAEMIA, DIABETES, OBESITY OR INFLAMMATION SANOFI-SYNTHELABO (FR) 2001-07-17 US disclosed