SCHEMBL11213474

SCHEMBL11213474

C=CCc1c(CC(=O)O)ccc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
PPARA Q07869 2/20 0.42
PTGS1 P23219 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
ALOX5 P09917 3/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
MAPT P10636 1/20 0.39
GABRA1 P14867 2/20 0.38
CNR2 P34972 2/20 0.38

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
SCHEMBL9786067 0.82 HSD17B10 (0.51) HSD17B10TDP1MEN1KMT2AL3MBTL1
Ammonia Solution, Strong SCHEMBL10969833 0.82 ALDH1A1 (0.44) PPARAPTGS1TDP1CYP3A4ALDH1A1
SCHEMBL6390934 0.81 HSD17B10 (0.44) HSD17B10PPARATDP1MEN1CYP3A4
SCHEMBL11209491 0.81 CYP3A4 (0.42) PPARAPTGS1TDP1MEN1CYP3A4
SCHEMBL6430390 0.79 TDP1 (0.55) PPARAPTGS1TDP1MEN1CYP3A4
SCHEMBL11025102 0.79 POLB (0.44) PPARAPTGS1TDP1CYP3A4L3MBTL1
SCHEMBL151820 0.78 HSD17B10 (0.57) HSD17B10TDP1MEN1KMT2AL3MBTL1
SCHEMBL30969123 0.78 HSD17B10 (0.57) HSD17B10TDP1MEN1KMT2AL3MBTL1
SCHEMBL10969347 0.78 POLB (0.43) PPARAPTGS1CYP3A4ALDH1A1KDM4E
SCHEMBL10536230 0.78 PTGS1 (0.62) PPARAPTGS1TDP1MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0036773-B1 2,3-DIHYDROBENZOFURANS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1983-02-16 EP disclosed
EP-0036773-A1 2,3-Dihydrobenzofurans, process for their preparation and pharmaceutical compositions containing them SMITHKLINE BECKMAN CORPORATION (US) 1981-09-30 EP disclosed
US-4254140-A USED FOR CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENT SMITHKLINE CORPORATION (US) 1981-03-03 US disclosed