SCHEMBL2989

SCHEMBL2989

CCCCOC(=O)N(Cc1ccc(-c2ccccc2C#N)cc1)[C@H](C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43
AGTR1 P30556 5/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LTB4R2 Q9NPC1 7/20 0.41
ABCB11 O95342 1/20 0.40
GP6 Q9HCN6 1/20 0.40
PTPN1 P18031 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
FSHR P23945 1/20 0.37
EGLN1 Q9GZT9 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
SCHEMBL1820 0.95 FFAR1 (0.43) FFAR1AKR1B1AGTR1ALDH1A1L3MBTL1
SCHEMBL7278787 0.91 AGTR1 (0.48) FFAR1AKR1B1AGTR1ALDH1A1L3MBTL1
SCHEMBL2651 0.91 ALDH1A1 (0.52) FFAR1AKR1B1AGTR1ALDH1A1L3MBTL1
SCHEMBL1809623 0.89 AGTR1 (0.54) FFAR1AKR1B1AGTR1LTB4R2ABCB11
SCHEMBL29378073 0.89 AGTR1 (0.54) FFAR1AKR1B1AGTR1LTB4R2ABCB11
SCHEMBL2140 0.89 AGTR1 (0.54) FFAR1AKR1B1AGTR1LTB4R2ABCB11
SCHEMBL3664 0.88 FFAR1 (0.45) FFAR1AKR1B1AGTR1ALDH1A1L3MBTL1
SCHEMBL6509546 0.86 ALDH1A1 (0.49) FFAR1AKR1B1AGTR1ALDH1A1L3MBTL1
SCHEMBL7271381 0.85 ALDH1A1 (0.48) FFAR1AKR1B1AGTR1ALDH1A1L3MBTL1
SCHEMBL2141 0.84 FFAR1 (0.43) FFAR1AKR1B1AGTR1LTB4R2ABCB11

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