SCHEMBL4283470

SCHEMBL4283470

CCOC(=O)CCc1cccc(CCCc2cc(=O)[nH]nc2C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.37
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCB1 P08183 1/20 0.36
PTPN1 P18031 1/20 0.36
MMP13 P45452 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4272358 0.79 PTGDR2 (0.57) PPARGPPARACYP4F2CYP4A11MMP13
SCHEMBL4267501 0.78 PTGDR2 (0.55) ALOX5PPARGPPARAPTGDR2
SCHEMBL4276035 0.77 PTGDR2 (0.41) PPARGPPARAMMP13PTGDR2
SCHEMBL3174515 0.72 PTGDR2 (0.65) ALOX5POLBCYP1A2SMN1; SMN2PTGDR2
SCHEMBL4425984 0.71 CYP4F2 (0.64) ALOX5PDE3BPDE3AP2RY12PPARG
SCHEMBL19889918 0.70 ALOX5 (0.57) ALOX5PPARGPPARAMAPK1CYP4F2
SCHEMBL4281384 0.70 PTGDR2 (0.39) PPARGCYP1A2CYP2C9CYP2C19TDP1
SCHEMBL7622998 0.70 CYP4F2 (0.51) PPARGPPARACYP4F2CYP4A11TDP1
SCHEMBL3175607 0.69 CYP4F2 (0.65) ALOX5PDE3BPDE3AP2RY12PPARG
SCHEMBL4276046 0.69 PTGDR2 (0.41) PDE3BPDE3AP2RY12CYP4F2CYP4A11

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