SCHEMBL11848930

SCHEMBL11848930

COc1cc(C(=O)OCC(C)O)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 4/20 0.55
▸ SCN1A P35498 2/20 0.54
▸ SCN2A Q99250 2/20 0.54
▸ SCN3A Q9NY46 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ KMT2A Q03164 7/20 0.51
▸ TSHR P16473 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ THPO P40225 2/20 0.50
▸ MTOR P42345 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ HTT P42858 1/20 0.49
▸ ABCC4 O15439 1/20 0.49

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
SCHEMBL9910014 0.89 SLC29A1 (0.56) SLC29A1SCN1ASCN2ASCN3ASMN1; SMN2
SCHEMBL28969683 0.86 SLC29A1 (0.54) SLC29A1SCN1ASCN2ASCN3ASMN1; SMN2
SCHEMBL13183860 0.84 TSHR (0.54) SLC29A1SCN1ASCN2ASCN3ASMN1; SMN2
SCHEMBL2612567 0.83 PTPN1 (0.68) SLC29A1SCN1ASCN2ASCN3ASMN1; SMN2
SCHEMBL2612552 0.83 SLC29A1 (0.54) SLC29A1SCN1ASCN2ASCN3ASMN1; SMN2
SCHEMBL25128874 0.80 TPMT (0.58) SLC29A1SCN1ASCN2ASCN3ASMN1; SMN2
Ethyltrimethoxy Benzoate SCHEMBL4410910 0.80 KMT2A (0.66) SLC29A1SCN1ASCN2ASCN3ASMN1; SMN2
SCHEMBL9681889 0.79 KMT2A (0.78) SLC29A1SCN1ASCN2ASCN3ASMN1; SMN2
Troxonium SCHEMBL29388450 0.78 SLC29A1 (0.59) SLC29A1SCN1ASCN2ASCN3ASMN1; SMN2
SCHEMBL10428055 0.78 SLC29A1 (0.59) SLC29A1SCN1ASCN2ASCN3ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3995046-A ANTIHYPERTENSIVE AGENTS Wulfing, Johann A. (DT) 1976-11-30 — — US disclosed
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