SCHEMBL4283671

SCHEMBL4283671

O=C(O)CCCOc1ccc(F)c(CCCc2cc(=O)[nH]nc2C(c2ccc(F)cc2)c2ccc(F)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.38
FFAR1 O14842 4/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
PPARD Q03181 1/20 0.38
CNR1 P21554 1/20 0.38
PDE3B Q13370 5/20 0.37
PDE3A Q14432 5/20 0.37
PDE2A O00408 3/20 0.37
P2RY12 Q9H244 3/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
LTB4R Q15722 1/20 0.37
PTGDR2 Q9Y5Y4 4/20 0.36
PTGDR Q13258 1/20 0.35

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 0.94 PTGDR2 (0.41) FFAR4FFAR1CNR1PDE3BPDE3A
SCHEMBL4272479 0.81 PTGDR2 (0.48) FFAR4FFAR1PDE3BPDE3APDE2A
SCHEMBL4275437 0.80 FFAR4 (0.39) FFAR4FFAR1PPARGPPARAPPARD
SCHEMBL4272358 0.80 PTGDR2 (0.57) FFAR1PPARGPPARACYP4F2CYP4A11
SCHEMBL4281384 0.78 PTGDR2 (0.39) PPARGPTGDR2
SCHEMBL3180242 0.76 PTGDR2 (0.64) FFAR4FFAR1PPARGPPARAPPARD
SCHEMBL3172653 0.75 PTGDR2 (0.64) FFAR4FFAR1PPARGPPARACNR1
SCHEMBL4275920 0.74 PTGDR2 (0.45) FFAR4FFAR1PDE3BPDE3APDE2A
SCHEMBL4276043 0.73 PTGDR2 (0.43) FFAR4FFAR1PPARGPPARAPPARD
SCHEMBL3169234 0.70 PTGDR2 (0.72) FFAR4FFAR1PPARGCNR1PTGDR2

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