SCHEMBL21187229

SCHEMBL21187229

O=C(O)COCc1cc(Br)ccc1C(O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.47
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGDR Q13258 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 2/20 0.33
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
AKR1B1 P15121 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL5041564 0.78 PTGDR2 (0.49) PTGDR2TDP1POLBTSHRCTDSP1
SCHEMBL8174893 0.78 PTGDR2 (0.49) PTGDR2TDP1POLBTSHRCTDSP1
SCHEMBL16294219 0.76 PTGDR2 (0.54) PTGDR2TDP1POLBL3MBTL1ALDH1A1
SCHEMBL3172071 0.75 PTGDR2 (0.48) PTGDR2TDP1POLBTSHRCTDSP1
SCHEMBL5041244 0.75 AKR1B1 (0.50) PTGDR2MEN1KMT2AAKR1B1
SCHEMBL1760266 0.70 FFAR1 (0.51) PTGDR2ALDH1A1FFAR1FFAR4MEN1
SCHEMBL21177053 0.70 MEN1 (0.42) PTGDR2TDP1L3MBTL1MEN1KMT2A
SCHEMBL4217267 0.68 HCAR2 (0.55) FFAR1FFAR4
SCHEMBL11556832 0.67 ALOX15 (0.50) PTGDR2POLBL3MBTL1ALDH1A1FFAR1
SCHEMBL30280535 0.66 PKM (0.58) PTGDR2TSHRALDH1A1FFAR1FFAR4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019141229-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF 上海怡立舍生物技术有限公司 2019-07-25 WO disclosed