SCHEMBL2553

SCHEMBL2553

CCCCC(=O)CC(C)(NCc1ccc(-c2ccccc2C#N)cc1)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
FFAR1 O14842 1/20 0.40
AKR1B1 P15121 1/20 0.40
LTB4R2 Q9NPC1 3/20 0.40
MYC P01106 1/20 0.40
WDR5 P61964 1/20 0.40
TSHR P16473 1/20 0.39
MME P08473 1/20 0.39
ACHE P22303 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
BDKRB1 P46663 1/20 0.36
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
ESR2 Q92731 1/20 0.36
APLNR P35414 1/20 0.35
PPARG P37231 2/20 0.35
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
PTPN5 P54829 1/20 0.35

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
SCHEMBL2645 0.85 FFAR1 (0.46) PTPN1FFAR1AKR1B1LTB4R2MYC
SCHEMBL3443 0.80 MYC (0.47) PTPN1FFAR1AKR1B1MYCWDR5
SCHEMBL8472443 0.79 LTB4R2 (0.37) LTB4R2BDKRB1AGTR1AGTR2
SCHEMBL9674134 0.73 LTB4R2 (0.52) PTPN1FFAR1AKR1B1LTB4R2MYC
Hydrochloric Acid SCHEMBL9844253 0.73 LTB4R2 (0.47) PTPN1FFAR1AKR1B1LTB4R2MYC
SCHEMBL9429437 0.72 LTB4R2 (0.48) PTPN1LTB4R2AGTR1AGTR2
SCHEMBL3147 0.72 FFAR1 (0.49) PTPN1FFAR1AKR1B1MYCWDR5
SCHEMBL6959964 0.71 PTPN1 (0.57) PTPN1FFAR1AKR1B1MYCWDR5
SCHEMBL9429769 0.71 LTB4R2 (0.49) FFAR1AKR1B1LTB4R2AGTR1AGTR2
SCHEMBL633444 0.71 MME (0.48) PTPN1FFAR1AKR1B1LTB4R2MYC

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