SCHEMBL4275255

SCHEMBL4275255

CC(=O)OOc1cccc(CCCn2cc(C(c3ccccc3)c3ccccc3)ccc2=O)c1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.75
PTGDR Q13258 1/20 0.47
SIGMAR1 Q99720 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PTGIR P43119 1/20 0.35

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
SCHEMBL27866949 0.97 PTGDR2 (0.70) PTGDR2PTGDRSIGMAR1HDAC3HDAC4
SCHEMBL4275259 0.90 PTGDR2 (0.77) PTGDR2PTGDRSIGMAR1HDAC3HDAC4
SCHEMBL27866948 0.87 PTGDR2 (0.72) PTGDR2PTGDRSIGMAR1HDAC3HDAC4
SCHEMBL3168930 0.85 PTGDR2 (1.00) PTGDR2PTGDRSIGMAR1HDAC3HDAC4
SCHEMBL3165304 0.85 PTGDR2 (1.00) PTGDR2PTGDRSIGMAR1HDAC3HDAC4
SCHEMBL3168945 0.85 PTGDR2 (1.00) PTGDR2PTGDRSIGMAR1HDAC3HDAC4
SCHEMBL3174445 0.85 PTGDR2 (1.00) PTGDR2PTGDRSIGMAR1HDAC3HDAC4
SCHEMBL27866951 0.85 PTGDR2 (0.55) PTGDR2PTGDR
SCHEMBL3159628 0.84 PTGDR2 (1.00) PTGDR2PTGDRPTGIR
SCHEMBL3168938 0.83 PTGDR2 (0.73) PTGDR2PTGDR

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