SCHEMBL7694497

SCHEMBL7694497

CCOC(=O)C(Oc1cccc(OC)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 1/20 0.50
MTNR1B P49286 9/20 0.49
MTNR1A P48039 8/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
HPGD P15428 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
SCHEMBL7324340 0.92 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL9423504 0.85 LMNA (0.56) TSHRLMNAMTNR1BMTNR1ACES2
SCHEMBL2316112 0.85 TSHR (0.54) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL5207507 0.81 L3MBTL1 (0.59) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL10469926 0.81 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1TDP1L3MBTL1
1,3-Dimethoxybenzene SCHEMBL27728370 0.81 ALDH1A1 (0.62) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL8395078 0.81 LMNA (0.51) TSHRLMNAMTNR1BMTNR1ACES2
SCHEMBL30475592 0.80 SMN1; SMN2 (0.59) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL4427542 0.79 SMN1; SMN2 (0.43) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL5711752 0.79 TDP1 (0.54) ALDH1A1TSHRMAPK1TDP1L3MBTL1

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-2002083650-A1 NOVEL SULFONYLAMINO-PYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2002-10-24 WO disclosed