SCHEMBL27938722

SCHEMBL27938722

COc1cc(O)ccc1S(=O)(=O)O.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.52
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TRPV4 Q9HBA0 1/20 0.43
▸ APP P05067 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MPL P40238 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CAPN1 P07384 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ MAOA P21397 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
SCHEMBL27844647 1.00 MAOB (0.52) MAOBLMNAMAPTKMT2AALDH1A1
SCHEMBL4072806 0.98 MAOB (0.53) MAOBLMNAMAPTKMT2AALDH1A1
SCHEMBL3123874 0.83 MAOB (0.53) MAOBMAPTKMT2ATRPV4APP
SCHEMBL28868246 0.81 LMNA (0.47) MAOBLMNAMAPTKMT2AALDH1A1
SCHEMBL10745617 0.81 GAA (0.52) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL6367227 0.79 MCOLN3 (0.55) LMNAMAPTKMT2AALDH1A1TRPV4
SCHEMBL669063 0.79 GAA (0.54) KMT2AALDH1A1CYP3A4MEN1GAA
SCHEMBL10886281 0.79 TSHR (0.50) LMNAMAPTKMT2AALDH1A1HSD17B10
SCHEMBL1804562 0.79 TRPV4 (0.44) LMNAMAPTKMT2AALDH1A1HIF1A
SCHEMBL154427 0.78 ALDH1A1 (0.51) LMNAMAPTKMT2AALDH1A1HSD17B10

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
CN-103342670-A Purifying method of sodium paeonolsilate SHANDONG FANGMING PHARM GROUP 2013-10-09 — — CN claimed
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