SCHEMBL4274010

SCHEMBL4274010

CC(=O)OOc1cccc(OCCCc2cc(=O)[nH]nc2C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.38
PTGDR Q13258 1/20 0.36
LTB4R Q15722 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GPR84 Q9NQS5 1/20 0.34
LMNA P02545 1/20 0.34
MCL1 Q07820 2/20 0.33
HSD17B10 Q99714 1/20 0.33
DHFR P00374 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
SCHEMBL4267885 0.89 PTGDR2 (0.41) PTGDR2PTGDR
SCHEMBL4276035 0.89 PTGDR2 (0.41) PTGDR2PTGDR
SCHEMBL4272479 0.82 PTGDR2 (0.48) PTGDR2PTGDRDHFR
SCHEMBL4272358 0.79 PTGDR2 (0.57) PTGDR2PTGDRLTB4R
SCHEMBL4272320 0.78 PTGDR2 (0.56) PTGDR2PTGDR
SCHEMBL4271985 0.78 PTGDR2 (0.56) PTGDR2PTGDR
SCHEMBL4275920 0.76 PTGDR2 (0.45) PTGDR2PTGDRALDH1A1DHFR
SCHEMBL4276046 0.75 PTGDR2 (0.41) PTGDR2PTGDR
SCHEMBL4267501 0.74 PTGDR2 (0.55) PTGDR2PTGDRALDH1A1
SCHEMBL4271717 0.73 PTGDR2 (0.41) PTGDR2

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