SCHEMBL8357464

SCHEMBL8357464

CCOc1nc2cccc(C(=O)OCc3ccc(-c4ccccc4C#N)cc3)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
AGTR2 P50052 1/20 0.40
BRS3 P32247 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
PPARG P37231 1/20 0.39
MAPK1 P28482 1/20 0.38
PTPN1 P18031 1/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL3976312 0.91 ALDH1A1 (0.42) FFAR1AKR1B1ALDH1A1KDM4EBRS3
SCHEMBL3978309 0.85 FFAR1 (0.43) FFAR1AKR1B1ALDH1A1KDM4EAGTR2
SCHEMBL8359613 0.84 FFAR1 (0.41) FFAR1AKR1B1ALDH1A1KDM4EBRS3
SCHEMBL7376271 0.83 ALDH1A1 (0.42) FFAR1AKR1B1L3MBTL1ALDH1A1KDM4E
SCHEMBL8635574 0.79 FFAR1 (0.40) FFAR1AKR1B1L3MBTL1ALDH1A1KDM4E
SCHEMBL7260709 0.78 TSHR (0.49) ALDH1A1KDM4EMAPK1MAPTSMN1; SMN2
SCHEMBL8476711 0.76 KDM4E (0.39) L3MBTL1ALDH1A1KDM4EBRS3PPARG
SCHEMBL5592930 0.75 BRS3 (0.39) FFAR1AKR1B1ALDH1A1KDM4EBRS3
SCHEMBL28394764 0.75 PPARG (0.38) FFAR1AKR1B1BRS3EGLN1PPARG
SCHEMBL8419218 0.74 MEN1 (0.38) L3MBTL1ALDH1A1KDM4EBRS3MAPK1

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-5883111-A STRONG AND LONG-LASTING ACTION BY ORAL ADMINISTRATION; HYPOTENSIVE AGENTS; CARDIOTONIC AGENTS; ALZHEIMER'S DISEASE; TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-16 US disclosed