SCHEMBL4275413

SCHEMBL4275413

CC(=O)OOc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)c2cccnc2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.60
▸ KCNA5 P22460 2/20 0.41
▸ CASR P41180 1/20 0.41
▸ EPHX2 P34913 4/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LPAR1 Q92633 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ GPR132 Q9UNW8 4/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KCNJ5 P48544 1/20 0.37
▸ KCNJ3 P48549 1/20 0.37

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
SCHEMBL4275411 0.91 PTGDR2 (0.62) PTGDR2KCNA5CASREPHX2GAA
SCHEMBL4272589 0.91 PTGDR2 (0.71) PTGDR2CASRGAALPAR1HTT
SCHEMBL3176899 0.87 PTGDR2 (0.59) PTGDR2KCNA5CASREPHX2GAA
SCHEMBL3166366 0.86 PTGDR2 (0.82) PTGDR2KCNA5EPHX2GAATSHR
SCHEMBL4266987 0.85 PTGDR2 (0.63) PTGDR2CASRLPAR1LMNA
SCHEMBL4275484 0.85 PTGDR2 (0.63) PTGDR2CASRLPAR1HTTLMNA
SCHEMBL4271817 0.84 PTGDR2 (0.59) PTGDR2CASRLPAR1HTTLMNA
SCHEMBL4281837 0.83 PTGDR2 (0.59) PTGDR2CASR
SCHEMBL4283351 0.83 PTGDR2 (0.59) PTGDR2CASRGAALPAR1
SCHEMBL12678756 0.83 PTGDR2 (0.66) PTGDR2KCNA5TSHRLPAR1GPR132

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
Send feedback