SCHEMBL4281384

SCHEMBL4281384

C[C@H](Oc1ccc(F)c(CCCc2cc(=O)[nH]nc2C(c2ccccc2)c2ccccc2)c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.39
PPARG P37231 5/20 0.37
ADRB3 P13945 5/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
PDK2 Q15119 1/20 0.33
PLA2G4A P47712 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 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
SCHEMBL4276046 0.84 PTGDR2 (0.41) PTGDR2PDK2
SCHEMBL4267501 0.84 PTGDR2 (0.55) PTGDR2PPARGADRB3ALDH1A1
SCHEMBL4271717 0.81 PTGDR2 (0.41) PTGDR2PPARGADRB3CYP1A2GAA
SCHEMBL4267944 0.80 PTGDR2 (0.43) PTGDR2PPARGADRB3CYP1A2GAA
SCHEMBL4268388 0.79 PTGDR2 (0.42) PTGDR2PPARGADRB3CYP1A2GAA
SCHEMBL4272568 0.79 PTGDR2 (0.41) PTGDR2PPARGADRB3CYP1A2GAA
SCHEMBL4283671 0.78 FFAR4 (0.38) PTGDR2PPARG
SCHEMBL3165634 0.76 PTGDR2 (0.54) PTGDR2PPARGADRB3CYP1A2GAA
SCHEMBL3164822 0.74 PTGDR2 (0.72) PTGDR2PPARGADRB3CYP1A2GAA
SCHEMBL4271597 0.73 TDP1 (0.48) PPARGCYP1A2GAACYP2C9PKM

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
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 WO disclosed