SCHEMBL2302

SCHEMBL2302

Cc1ccc(-c2ccccc2C(=O)OCC[Si](C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.51
SCN2A Q99250 2/20 0.51
SCN3A Q9NY46 2/20 0.51
SLC6A3 Q01959 4/20 0.44
SLC6A4 P31645 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 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
SCHEMBL2127 0.88 SCN1A (0.50) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL1615 0.85 SCN1A (0.51) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL3202 0.85 SCN1A (0.51) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL9533684 0.84 CYP46A1 (0.49) SCN1ASCN2ASCN3AALDH1A1L3MBTL1
SCHEMBL3230316 0.82 TSHR (0.65) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL29500171 0.82 TSHR (0.65) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL3633116 0.82 TSHR (0.67) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL29500191 0.82 TSHR (0.67) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL15907643 0.80 ALDH1A1 (0.68) SCN1ASCN2ASCN3AALDH1A1TSHR
SCHEMBL25054408 0.79 L3MBTL1 (0.52) ALDH1A1TSHRL3MBTL1TDP1KMT2A

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