SCHEMBL22176183

SCHEMBL22176183

COC(=O)c1cc(F)ccc1OCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.59
FFAR4 Q5NUL3 1/20 0.51
PTGDR2 Q9Y5Y4 8/20 0.50
CYSLTR1 Q9Y271 1/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
PTGDR Q13258 1/20 0.43
AKR1A1 P14550 1/20 0.43
AKR1B1 P15121 1/20 0.43

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
SCHEMBL20509598 0.88 FFAR4 (0.64) PKMFFAR4PTGDR2POLBSMN1; SMN2
SCHEMBL25337583 0.88 ALDH1A1 (0.54) PKMFFAR4PTGDR2SMN1; SMN2L3MBTL1
SCHEMBL29116901 0.85 ALDH1A1 (0.44) PKMFFAR4SMN1; SMN2TSHRL3MBTL1
SCHEMBL718460 0.84 PTGDR2 (0.68) PKMPTGDR2CYSLTR1POLBSMN1; SMN2
SCHEMBL22164183 0.84 PKM (0.55) PKMPTGDR2CYSLTR1POLBSMN1; SMN2
SCHEMBL4138843 0.84 PKM (0.71) PKMPTGDR2CYSLTR1POLBSMN1; SMN2
SCHEMBL2610714 0.83 CHEK1 (0.47) FFAR4SMN1; SMN2KMT2AALDH1A1HTT
SCHEMBL29117002 0.83 FFAR4 (0.42) PKMFFAR4SMN1; SMN2TSHRL3MBTL1
SCHEMBL29116910 0.83 ALDH1A1 (0.43) PKMFFAR4SMN1; SMN2TSHRL3MBTL1
SCHEMBL18914159 0.82 MAPT (0.48) FFAR4SMN1; SMN2MEN1KMT2AALDH1A1

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-2020138015-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND 大正製薬株式会社 2020-07-02 WO disclosed