SCHEMBL4267450

SCHEMBL4267450

O=C(O)COc1cccc(CC2CCCCC2Cc2cc(=O)[nH]nc2C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.43
PTGIR P43119 5/20 0.41
FFAR1 O14842 3/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
TBXA2R P21731 1/20 0.36
ROCK2 O75116 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
SCHEMBL4271985 0.81 PTGDR2 (0.56) PTGDR2PTGIRPPARGPPARA
SCHEMBL4272320 0.81 PTGDR2 (0.56) PTGDR2PTGIRPPARGPPARA
SCHEMBL3159504 0.76 PTGDR2 (0.65) PTGDR2PTGIRFFAR1
SCHEMBL3176242 0.75 PPARA (0.48) PTGDR2PTGIRFFAR1PPARGPPARA
SCHEMBL4272358 0.73 PTGDR2 (0.57) PTGDR2PTGIRFFAR1PPARGPPARA
SCHEMBL4272479 0.71 PTGDR2 (0.48) PTGDR2FFAR1
SCHEMBL4267501 0.69 PTGDR2 (0.55) PTGDR2PTGIRPPARGPPARA
SCHEMBL4276035 0.68 PTGDR2 (0.41) PTGDR2PTGIRPPARGPPARA
SCHEMBL8055942 0.68 PTGIR (0.66) PTGIRPPARATBXA2R
SCHEMBL4267885 0.68 PTGDR2 (0.41) PTGDR2PTGIRPPARGPPARA

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