SCHEMBL4458627

SCHEMBL4458627

CCC(CCC(=O)O)Oc1cc2c(cc1-c1ccc(C(F)(F)F)cc1)CCC2=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
PTGDR2 Q9Y5Y4 9/20 0.38
DGAT1 O75907 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PPARD Q03181 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CASR P41180 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
SCHEMBL4450728 0.79 FFAR4 (0.44) BACE1PTGDR2PSEN1PSEN2APH1B
SCHEMBL4460104 0.79 BRD4 (0.34) PPARD
SCHEMBL4447372 0.79 BRD4 (0.34) PPARD
SCHEMBL4458624 0.78 PPARA (0.44) BACE1AKR1C3AKR1C2PTGDR2PSEN1
SCHEMBL13956446 0.75 FFAR4 (0.44) BACE1PTGDR2PSEN1PSEN2APH1B
SCHEMBL13956477 0.75 BACE1 (0.48) BACE1AKR1C3AKR1C2PTGDR2PPARD
SCHEMBL4460423 0.74 LTB4R (0.37)
SCHEMBL4458626 0.73 BRD4 (0.58) BACE1PTGDR2DGAT1PPARDMAOA
SCHEMBL13956478 0.73 BACE1 (0.41) BACE1PTGDR2DGAT1PPARDMAOA
SCHEMBL18830539 0.72 BACE1 (0.41) BACE1AKR1C3AKR1C2PTGDR2DGAT1

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
US-7482484-B2 Carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2009-01-27 US disclosed