SCHEMBL4275411

SCHEMBL4275411

CC(=O)Oc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)c2cccnc2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.62
▸ ABCB1 P08183 1/20 0.43
▸ CASR P41180 1/20 0.42
▸ EPHX2 P34913 4/20 0.41
▸ KCNA5 P22460 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LPAR1 Q92633 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GPR132 Q9UNW8 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KCNJ5 P48544 1/20 0.38
▸ KCNJ3 P48549 1/20 0.38

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
SCHEMBL4275413 0.91 PTGDR2 (0.60) PTGDR2ABCB1CASREPHX2KCNA5
SCHEMBL4272587 0.91 PTGDR2 (0.74) PTGDR2CASRGAALPAR1HTT
SCHEMBL3166366 0.87 PTGDR2 (0.82) PTGDR2EPHX2KCNA5GAATSHR
SCHEMBL3176899 0.87 PTGDR2 (0.59) PTGDR2ABCB1CASREPHX2KCNA5
SCHEMBL4272486 0.85 PTGDR2 (0.66) PTGDR2CASRLPAR1HTTLMNA
SCHEMBL12678756 0.85 PTGDR2 (0.66) PTGDR2KCNA5TSHRLPAR1GPR132
SCHEMBL4273938 0.84 PTGDR2 (0.61) PTGDR2CASRHTTLMNAALDH1A1
SCHEMBL4272063 0.84 PTGDR2 (0.78) PTGDR2CASRGAALPAR1HTT
SCHEMBL4266983 0.84 PTGDR2 (0.65) PTGDR2CASRLPAR1LMNAALDH1A1
SCHEMBL4274292 0.84 PTGDR2 (0.65) PTGDR2CASRLPAR1HTTLMNA

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
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