SCHEMBL12436841

SCHEMBL12436841

CC(C)(Sc1ccc(CCNCCCCC2CCCCC2)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.63
PPARG P37231 9/20 0.63
PPARD Q03181 3/20 0.63
GMNN O75496 1/20 0.63
USP2 O75604 1/20 0.63
USP1 O94782 1/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
CYP1A2 P05177 1/20 0.63
POLB P06746 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
MAPT P10636 1/20 0.63
CYP2C9 P11712 1/20 0.63
ALOX15 P16050 1/20 0.63
NFKB1 P19838 1/20 0.63
MAPK1 P28482 1/20 0.63
CYP2C19 P33261 1/20 0.63
BRCA1 P38398 1/20 0.63

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
SCHEMBL6553633 0.87 PPARA (0.50) PPARAPPARGPPARDGMNNUSP2
SCHEMBL3675079 0.81 PPARA (0.65) PPARAPPARGPPARDGMNNUSP2
SCHEMBL21123888 0.79 PPARA (0.67) PPARAPPARGPPARDGMNNUSP2
SCHEMBL19548008 0.78 PPARA (0.61) PPARAPPARGPPARDGMNNUSP2
Gw7647 SCHEMBL361372 0.78 PPARA (1.00) PPARAPPARGPPARDGMNNUSP2
SCHEMBL22100299 0.77 PPARA (0.98) PPARAPPARGPPARDGMNNUSP2
SCHEMBL16147204 0.73 PPARA (1.00) PPARAPPARGPPARDGMNNUSP2
SCHEMBL6129053 0.73 PPARA (0.47) PPARAPPARGPPARDGMNNUSP2
SCHEMBL16147851 0.72 PPARA (1.00) PPARAPPARGPPARDGMNNUSP2
SCHEMBL2786217 0.69 PPARG (0.59) PPARAPPARGPPARDALDH1A1TP53

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-2183222-B1 AZOLORAINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF SANOFI SA (FR) 2011-08-03 EP disclosed