SCHEMBL2226

SCHEMBL2226

CCOC(=O)C(C)(C)CNCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.46
WDR5 P61964 1/20 0.46
PTPN1 P18031 1/20 0.42
FFAR1 O14842 1/20 0.42
AKR1B1 P15121 1/20 0.42
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MME P08473 1/20 0.40
ESR2 Q92731 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
PTPN5 P54829 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
NLRP3 Q96P20 1/20 0.38
ITGB1 P05556 1/20 0.38

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
SCHEMBL8482925 0.90 ABL1 (0.40) MYCWDR5PTPN1FFAR1AKR1B1
SCHEMBL2200 0.88 MYC (0.45) MYCWDR5PTPN1FFAR1AKR1B1
SCHEMBL16839697 0.82 SMN1; SMN2 (0.51) FFAR1ALDH1A1SMN1; SMN2MMP8
SCHEMBL2103 0.80 MYC (0.47) MYCWDR5PTPN1FFAR1AKR1B1
SCHEMBL7440971 0.80 SMN1; SMN2 (0.56) ALDH1A1GAASMN1; SMN2KDM4EHSD17B10
SCHEMBL2208 0.78 MYC (0.48) MYCWDR5PTPN1FFAR1AKR1B1
SCHEMBL2687 0.77 MYC (0.45) MYCWDR5PTPN1FFAR1AKR1B1
SCHEMBL3443 0.76 MYC (0.47) MYCWDR5PTPN1FFAR1AKR1B1
SCHEMBL2311 0.75 ITGB1 (0.43) MYCWDR5PTPN1FFAR1AKR1B1
SCHEMBL2305 0.75 LTB4R2 (0.50) FFAR1AKR1B1

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