SCHEMBL4267950

SCHEMBL4267950

CC(Oc1cccc(S(=O)(=O)CCCc2cc(C(c3ccccc3)c3ccccc3)c[nH]c2=O)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.46
ADRB3 P13945 6/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
BACE1 P56817 1/20 0.32
APEX1 P27695 1/20 0.32
CTSD P07339 1/20 0.31
FFAR1 O14842 1/20 0.31
PTGS1 P23219 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL4267953 0.86 PTGDR2 (0.59) PTGDR2ADRB3ALDH1A1MAPTCYP2C9
SCHEMBL4271773 0.86 PTGDR2 (0.59) PTGDR2ADRB3ALDH1A1MAPTCYP2C9
SCHEMBL4271611 0.81 PTGDR2 (0.44) PTGDR2ADRB3ALDH1A1MAPTCYP1A2
SCHEMBL4267944 0.80 PTGDR2 (0.43) PTGDR2ADRB3ALDH1A1MAPTCYP1A2
SCHEMBL4268388 0.79 PTGDR2 (0.42) PTGDR2ADRB3ALDH1A1CYP1A2GAA
SCHEMBL4274214 0.79 PTGDR2 (0.43) PTGDR2ADRB3ALDH1A1MAPTCYP1A2
SCHEMBL4276034 0.79 PTGDR2 (0.44) PTGDR2ADRB3CYP1A2GAACYP2C9
SCHEMBL3168477 0.75 PTGDR2 (0.73) PTGDR2ADRB3CYP1A2GAACYP2C9
SCHEMBL3159417 0.73 PTGDR2 (0.55) PTGDR2CYP1A2GAACYP2C9PKM
SCHEMBL4271751 0.72 PTGDR2 (0.45) 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