SCHEMBL4416672

SCHEMBL4416672

CC(=O)On1ccc2c(OCCCn3cc(C(c4ccccc4)c4ccccc4)ccc3=O)cccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 9/20 0.47
▸ MCL1 Q07820 7/20 0.40
▸ BAD Q92934 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ BCL2 P10415 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ BCL2L1 Q07817 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 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
SCHEMBL4414924 0.95 PTGDR2 (0.52) PTGDR2MCL1BADSMN1; SMN2KMT2A
SCHEMBL4419630 0.86 PTGDR2 (0.51) PTGDR2MCL1ALDH1A1PPARGPPARA
SCHEMBL3168073 0.84 PTGDR2 (0.52) PTGDR2MCL1BADPPARGPPARA
SCHEMBL3174447 0.82 PTGDR2 (0.51) PTGDR2MCL1BADBCL2BCL2L1
SCHEMBL4415546 0.82 PTGDR2 (0.42) PTGDR2KMT2AALDH1A1
SCHEMBL4413606 0.82 PTGDR2 (0.43) PTGDR2
SCHEMBL12678715 0.81 PTGDR2 (0.45) PTGDR2MCL1BADBCL2PPARG
SCHEMBL4418272 0.79 PTGDR2 (0.51) PTGDR2MCL1
SCHEMBL3168468 0.79 PTGDR2 (0.57) PTGDR2MCL1PPARGPPARA
SCHEMBL12678737 0.77 PTGDR2 (0.50) PTGDR2KMT2AALDH1A1PPARGPPARA

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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