SCHEMBL4267944

SCHEMBL4267944

C[C@H](Oc1cccc(S(=O)(=O)CCCc2cc(=O)[nH]nc2C(c2ccccc2)c2ccccc2)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.43
ADRB3 P13945 5/20 0.32
PTGS1 P23219 1/20 0.32
ADORA3 P0DMS8 4/20 0.32
ADORA2A P29274 4/20 0.32
ALDH1A1 P00352 2/20 0.32
FFAR1 O14842 1/20 0.32
FABP4 P15090 1/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADORA1 P30542 1/20 0.32
KAT6A Q92794 1/20 0.32
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL4267501 0.86 PTGDR2 (0.55) PTGDR2ADRB3ALDH1A1MAPTPPARG
SCHEMBL4271717 0.81 PTGDR2 (0.41) PTGDR2ADRB3PTGS1ADORA3ADORA2A
SCHEMBL4267950 0.80 PTGDR2 (0.46) PTGDR2ADRB3PTGS1ALDH1A1FFAR1
SCHEMBL4281384 0.80 PTGDR2 (0.39) PTGDR2ADRB3ALDH1A1CYP1A2GAA
SCHEMBL4272568 0.79 PTGDR2 (0.41) PTGDR2ADRB3PTGS1ADORA3ADORA2A
SCHEMBL3159417 0.74 PTGDR2 (0.55) PTGDR2FABP4CYP1A2GAACYP2C9
SCHEMBL4272320 0.73 PTGDR2 (0.56) PTGDR2PPARGPPARA
SCHEMBL4271985 0.73 PTGDR2 (0.56) PTGDR2PPARGPPARA
SCHEMBL4276035 0.73 PTGDR2 (0.41) PTGDR2PPARGPPARA
SCHEMBL3168477 0.72 PTGDR2 (0.73) PTGDR2ADRB3CYP1A2GAACYP2C9

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