SCHEMBL27942158

SCHEMBL27942158

COc1cc(CC(=O)O)c(Br)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.61
▸ KDM4E B2RXH2 3/20 0.53
▸ ABL1 P00519 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ RIN1 Q13671 1/20 0.53
▸ CTDSP1 Q9GZU7 1/20 0.53
▸ GAA P10253 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LCK P06239 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL10044606 0.80 CYP1A2 (0.44) HSD17B10ALDH1A1USP2CYP3A4MAPK1
SCHEMBL3326056 0.80 HSD17B10 (0.61) HSD17B10KDM4EABL1POLBMAPT
SCHEMBL349193 0.80 HSD17B10 (0.61) HSD17B10KDM4EABL1POLBMAPT
SCHEMBL4395434 0.80 HSD17B10 (0.61) HSD17B10KDM4EABL1POLBMAPT
SCHEMBL12404016 0.79 PDE4A (0.47) HSD17B10ALDH1A1USP2CYP3A4MAPK1
SCHEMBL4394914 0.78 HSD17B10 (0.44) HSD17B10KDM4EABL1POLBMAPT
SCHEMBL3927410 0.78 HSD17B10 (0.54) HSD17B10KDM4EABL1POLBMAPT
SCHEMBL9377735 0.77 CYP1A2 (0.44) ALDH1A1CYP3A4CYP1A2
SCHEMBL1599400 0.77 HSD17B10 (0.56) HSD17B10KDM4EABL1POLBMAPT
SCHEMBL21526724 0.76 CYP1A2 (0.45) HSD17B10USP2CYP3A4MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103373974-A Preparation method of 2-(4-hydroxyphenyl)-5,7-dimethoxy benzofuran CAS GUANGZHOU CHEMISTRY CO LTD 2013-10-30 — — CN claimed
CN-103373974-A Preparation method of 2-(4-hydroxyphenyl)-5,7-dimethoxy benzofuran CAS GUANGZHOU CHEMISTRY CO LTD 2013-10-30 — — CN disclosed
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