SCHEMBL2645

SCHEMBL2645

CCCC(=O)CC(C)(NCc1ccc(-c2ccccc2C#N)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46
PTPN1 P18031 1/20 0.43
MME P08473 1/20 0.39
MYC P01106 1/20 0.39
WDR5 P61964 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
ESR2 Q92731 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL2553 0.85 PTPN1 (0.41) FFAR1AKR1B1PTPN1MMEMYC
SCHEMBL3147 0.84 FFAR1 (0.49) FFAR1AKR1B1PTPN1MMEMYC
SCHEMBL2410 0.80 TNKS (0.35) LTB4R2AGTR1AGTR2
SCHEMBL11832786 0.77 FFAR1 (0.49) FFAR1AKR1B1PTPN1MMEEGLN1
SCHEMBL11845649 0.76 FFAR1 (0.50) FFAR1AKR1B1PTPN1MMEEGLN1
SCHEMBL3443 0.74 MYC (0.47) FFAR1AKR1B1PTPN1MMEMYC
SCHEMBL6961953 0.74 FFAR1 (0.54) FFAR1AKR1B1PTPN1MMEMYC
SCHEMBL14004740 0.71 FFAR1 (0.48) FFAR1AKR1B1PTPN1MMEMYC
SCHEMBL2317 0.71 FFAR1 (0.48) FFAR1AKR1B1PTPN1MMEMYC
SCHEMBL27453802 0.71 FFAR1 (0.53) FFAR1AKR1B1PTPN1MMEMYC

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-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed