SCHEMBL6532689

SCHEMBL6532689

COc1ccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)c[nH]3)cc2)cc1.O=C(O)CCCOc1ccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3CCCC(=O)O)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.38
PPARA Q07869 3/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
ARRB1 P49407 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
FFAR4 Q5NUL3 3/20 0.35
LTB4R Q15722 1/20 0.34
CYSLTR2 Q9NS75 3/20 0.34
CYSLTR1 Q9Y271 3/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
GCGR P47871 2/20 0.33

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
SCHEMBL6532685 1.00 FFAR1 (0.38) FFAR1PPARAPPARGPPARDMAPT
SCHEMBL1481580 0.89 PPARA (0.41) FFAR1PPARAPPARGPPARDFFAR4
SCHEMBL1481578 0.89 PPARA (0.41) FFAR1PPARAPPARGPPARDFFAR4
SCHEMBL1481266 0.89 CASP3 (0.43) FFAR1PPARAPPARGPPARDMAPT
SCHEMBL1481268 0.89 CASP3 (0.43) FFAR1PPARAPPARGPPARDMAPT
SCHEMBL1480840 0.86 FFAR1 (0.42) FFAR1PPARAPPARGPPARDFFAR4
SCHEMBL1480837 0.86 FFAR1 (0.42) FFAR1PPARAPPARGPPARDFFAR4
SCHEMBL1481594 0.84 FFAR4 (0.44) FFAR1PPARAPPARGPPARDFFAR4
SCHEMBL12735962 0.84 PPARG (0.43) FFAR1PPARAPPARGPPARDCASP3
SCHEMBL1481591 0.84 FFAR4 (0.44) FFAR1PPARAPPARGPPARDFFAR4

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
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO disclosed