SCHEMBL8213253

SCHEMBL8213253

Cc1ccc(-c2cc(Cc3ccc(OC(F)(F)F)cc3Cl)c(C(=O)O)cn2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.41
FFAR4 Q5NUL3 8/20 0.41
DHODH Q02127 2/20 0.41
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
FFAR1 O14842 4/20 0.39
SCN5A Q14524 2/20 0.39
CYP2C9 P11712 1/20 0.39
EIF4E P06730 1/20 0.39
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
RIPK1 Q13546 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
PTGER4 P35408 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
SCHEMBL8221295 0.92 FFAR4 (0.38) KMOFFAR4DHODHFFAR1SCN5A
SCHEMBL8221375 0.90 KMO (0.43) KMODHODHSCN5AEIF4EPTGER4
SCHEMBL3345267 0.83 KMO (0.45) KMOFFAR4DHODHAKR1C2AKR1C1
SCHEMBL8217120 0.79 KMO (0.39) KMOSCN5A
SCHEMBL3340037 0.76 FFAR4 (0.41) KMOFFAR4DHODHFFAR1SCN5A
SCHEMBL8216214 0.76 KDM4E (0.39) KMODHODHSCN5ACYP2C9
SCHEMBL3345443 0.72 KMO (0.44) KMODHODHSCN5AEIF4EMRGPRX4
SCHEMBL3342506 0.70 KMO (0.48) KMOSCN5A
SCHEMBL3339524 0.70 KMO (0.44) KMODHODHSCN5AEIF4E
SCHEMBL3342587 0.69 KMO (0.47) KMO

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-2008031500-A1 4-PHENOXY-NICOTINE ACID DERIVATIVES AND USE THEREOF AS PPAR-MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-20 WO disclosed