SCHEMBL4186598

SCHEMBL4186598

CCC(C)(Sc1ccc(OCCc2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.56
PPARD Q03181 10/20 0.56
PPARG P37231 8/20 0.56
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
FFAR1 O14842 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL4192083 0.86 PPARA (0.59) PPARAPPARDPPARGKMT2AATM
SCHEMBL4187136 0.86 PPARG (0.47) PPARAPPARDPPARGFFAR1
SCHEMBL4184977 0.84 BCL2 (0.47) PPARAPPARDPPARGKMT2A
SCHEMBL4191222 0.83 PPARG (0.46) PPARAPPARDPPARGFFAR1
SCHEMBL11468433 0.82 OPRK1 (0.45) PPARAPPARGKMT2ALMNAL3MBTL1
SCHEMBL3384312 0.80 PPARA (0.51) PPARAPPARDPPARGKMT2AATM
SCHEMBL3383238 0.73 PPARG (0.49) PPARAPPARDPPARGFFAR1
SCHEMBL4192840 0.73 NR4A2 (0.44) PPARAPPARGKMT2A
SCHEMBL4374627 0.72 NR4A2 (0.71) PPARAPPARDPPARGFFAR1TAAR1
SCHEMBL4191214 0.72 ADAM17 (0.43) PPARAPPARDPPARGFFAR1

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
EP-1572180-B1 USE OF ALPHA-PHENYLTHIOCARBOXYLIC ACIDS WITH SERUM-GLUCOSE-LOWERING AND SERUM-LIPID-LOWERING ACTIVITY SIGMA TAU IND FARMACEUTI (IT) 2009-02-25 EP claimed