SCHEMBL3147

SCHEMBL3147

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.49
AKR1B1 P15121 1/20 0.49
PTPN1 P18031 1/20 0.48
MYC P01106 1/20 0.43
WDR5 P61964 1/20 0.43
ESR2 Q92731 1/20 0.43
MME P08473 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
CD274 Q9NZQ7 2/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
PDCD1 Q15116 1/20 0.39
ADAM17 P78536 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
PTPN5 P54829 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 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
SCHEMBL3443 0.88 MYC (0.47) FFAR1AKR1B1PTPN1MYCWDR5
SCHEMBL2645 0.84 FFAR1 (0.46) FFAR1AKR1B1PTPN1MYCWDR5
SCHEMBL11845649 0.82 FFAR1 (0.50) FFAR1AKR1B1PTPN1ESR2MME
SCHEMBL11832786 0.81 FFAR1 (0.49) FFAR1AKR1B1PTPN1ESR2MME
SCHEMBL6961953 0.81 FFAR1 (0.54) FFAR1AKR1B1PTPN1MYCWDR5
SCHEMBL2317 0.77 FFAR1 (0.48) FFAR1AKR1B1PTPN1MYCWDR5
SCHEMBL14004740 0.77 FFAR1 (0.48) FFAR1AKR1B1PTPN1MYCWDR5
SCHEMBL9025920 0.77 FFAR1 (0.57) FFAR1AKR1B1PTPN1MYCWDR5
SCHEMBL4008849 0.77 FFAR1 (0.57) FFAR1AKR1B1PTPN1MYCWDR5
Hydrochloric Acid SCHEMBL3473569 0.77 FFAR1 (0.47) FFAR1AKR1B1PTPN1MYCWDR5

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
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