SCHEMBL2432

SCHEMBL2432

COC(=O)[C@H](NCc1ccc(-c2ccccc2C#N)cc1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.45
WDR5 P61964 1/20 0.45
MME P08473 1/20 0.44
FFAR1 O14842 1/20 0.44
AKR1B1 P15121 1/20 0.44
ESR2 Q92731 1/20 0.43
ANPEP P15144 1/20 0.42
PTPN1 P18031 1/20 0.42
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
ADAM17 P78536 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
OXTR P30559 1/20 0.39

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
SCHEMBL8065614 1.00 MYC (0.45) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL2174 1.00 MYC (0.45) MYCWDR5MMEFFAR1AKR1B1
Hydrochloric Acid SCHEMBL15663201 0.99 MYC (0.45) MYCWDR5MMEFFAR1AKR1B1
Hydrochloric Acid SCHEMBL3526296 0.99 MYC (0.45) MYCWDR5MMEFFAR1AKR1B1
Oxalic Acid SCHEMBL1616541 0.97 MME (0.44) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL2465 0.90 MYC (0.43) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL3121 0.90 MYC (0.43) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL8910310 0.89 ABL1 (0.42) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL14004740 0.89 FFAR1 (0.48) MYCWDR5MMEFFAR1AKR1B1
SCHEMBL2317 0.89 FFAR1 (0.48) MYCWDR5MMEFFAR1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199144-B2 Process for the preparation of valsartan and intermediates thereof TEVA PHARMACEUTICALS INDUSTRIES, LTD. (IL) 2007-04-03 US disclosed
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed