SCHEMBL4726682

SCHEMBL4726682

CCC(C(=O)O)c1ccc(CC=NOCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.42
AKR1C2 P52895 5/20 0.42
FFAR1 O14842 3/20 0.42
PPARG P37231 3/20 0.42
PPARA Q07869 2/20 0.41
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
LDHA P00338 2/20 0.38
LDHB P07195 2/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C1 Q04828 1/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38

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
SCHEMBL16915093 0.83 PPARG (0.50) FFAR1PPARGPPARAMMEACE
SCHEMBL4726681 0.80 S1PR1 (0.57) AKR1C3AKR1C2FFAR1PPARGPPARA
SCHEMBL4726499 0.80 PSEN1 (0.46) PPARGPPARAPSEN1PSEN2APH1B
SCHEMBL1903665 0.79 AKR1C3 (0.59) AKR1C3AKR1C2PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL2763475 0.78 AKR1C3 (0.58) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL16914933 0.77 MAOB (0.44) FFAR1PPARGPPARAMMEACE
SCHEMBL4728593 0.77 PPARA (0.48) FFAR1PPARGPPARA
SCHEMBL16914905 0.76 PPARD (0.54) FFAR1PPARGPPARAMAOB
SCHEMBL16269626 0.76 MEN1 (0.47) FFAR1PPARGPPARAMAOBIDO1
SCHEMBL16269508 0.76 MAOB (0.47) FFAR1PPARGPPARAMAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO claimed
WO-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO disclosed