SCHEMBL2117

SCHEMBL2117

C[Si](C)(C)CCOC(=O)c1cc(CO)ccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.45
SCN2A Q99250 2/20 0.45
SCN3A Q9NY46 2/20 0.45
FOLH1 Q04609 1/20 0.45
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
TSHR P16473 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MAPK1 P28482 2/20 0.37

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
SCHEMBL9533684 0.86 CYP46A1 (0.49) SCN1ASCN2ASCN3AALDH1A1TDP1
SCHEMBL2127 0.84 SCN1A (0.50) SCN1ASCN2ASCN3ALTB4R2ALDH1A1
SCHEMBL2116 0.77 FOLH1 (0.45) SCN1ASCN2ASCN3AFOLH1LTB4R
SCHEMBL3202 0.77 SCN1A (0.51) SCN1ASCN2ASCN3AALDH1A1TSHR
SCHEMBL3431159 0.76 FOLH1 (0.53) SCN1ASCN2ASCN3AFOLH1LTB4R
SCHEMBL2302 0.75 SCN1A (0.51) SCN1ASCN2ASCN3AALDH1A1TSHR
SCHEMBL9407400 0.74 FOLH1 (0.75) FOLH1LTB4RLTB4R2CA12CA2
SCHEMBL3234150 0.72 CYP4F2 (0.62) SCN1ASCN2ASCN3AFOLH1ALDH1A1
SCHEMBL1615 0.72 SCN1A (0.51) SCN1ASCN2ASCN3AALDH1A1TSHR
SCHEMBL25054408 0.70 L3MBTL1 (0.52) ALDH1A1TSHRTDP1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed