SCHEMBL4339997

SCHEMBL4339997

CCOc1ccc([C@H](CC(=O)O)OC(C)C)cc1I

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KMT2A Q03164 1/20 0.38
PPARG P37231 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4328033 0.83 FFAR1 (0.41) FFAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL4347161 0.79 FFAR1 (0.53) FFAR1ALDH1A1SMN1; SMN2PPARGAKR1C3
SCHEMBL19122117 0.75 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAKMT2AL3MBTL1
SCHEMBL4339988 0.73 PPARG (0.44) FFAR1KMT2APPARG
SCHEMBL24313765 0.72 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL1508434 0.72 FFAR1 (0.42) FFAR1PPARG
SCHEMBL29469835 0.72 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL25160041 0.71 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNA
SCHEMBL4948306 0.69 TSHR (0.66) SMN1; SMN2LMNAKMT2AL3MBTL1
SCHEMBL23000616 0.68 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DALDH1A1

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed