SCHEMBL1915243

SCHEMBL1915243

Cc1cc(CC(C=O)CC(=O)O)oc1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.36
APEX1 P27695 2/20 0.34
TTR P02766 1/20 0.33
NPC1 O15118 2/20 0.33
GAA P10253 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
CYP26A1 O43174 4/20 0.32
ALDH1A1 P00352 2/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2030406 0.73 POLB (0.38) POLBL3MBTL1HTTAPEX1TTR
SCHEMBL7958414 0.71 PTGER4 (0.47) POLBL3MBTL1APEX1TTRNPC1
SCHEMBL2398239 0.69 MIF (0.45) POLBL3MBTL1APEX1NPC1GAA
SCHEMBL1916048 0.68 KMT2A (0.49)
SCHEMBL7960304 0.66 APEX1 (0.38) POLBL3MBTL1APEX1TTRNPC1
SCHEMBL27679696 0.65 SLC22A6 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL1915970 0.65 CPA3 (0.56)
SCHEMBL20543848 0.65 L3MBTL1 (0.42) POLBL3MBTL1HTTTAS1R3TAS1R1
SCHEMBL1915040 0.63 KMT2A (0.41) POLBL3MBTL1HTT
SCHEMBL1915691 0.63 SMN1; SMN2 (0.40) POLBHTTNPC1GAAALDH1A1

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-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed