SCHEMBL8359682

SCHEMBL8359682

CCCSc1nc2c(C)ccc(C(=O)OCc3ccc(-c4ccccc4C#N)cc3)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
AKR1B1 P15121 1/20 0.38
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
EGLN1 Q9GZT9 1/20 0.35
PPARG P37231 2/20 0.35
NPSR1 Q6W5P4 3/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34
PTPN1 P18031 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL8635574 0.76 FFAR1 (0.40) FFAR1AKR1B1AGTR1AGTR2ALDH1A1
SCHEMBL8357464 0.71 FFAR1 (0.43) FFAR1AKR1B1AGTR2ALDH1A1KDM4E
SCHEMBL7376271 0.71 ALDH1A1 (0.42) FFAR1AKR1B1AGTR1AGTR2ALDH1A1
SCHEMBL3976312 0.71 ALDH1A1 (0.42) FFAR1AKR1B1ALDH1A1KDM4EEGLN1
SCHEMBL8476707 0.71 KDM4E (0.41) FFAR1AKR1B1ALDH1A1KDM4ETDP1
SCHEMBL3978309 0.70 FFAR1 (0.43) FFAR1AKR1B1AGTR1AGTR2ALDH1A1
SCHEMBL8359613 0.68 FFAR1 (0.41) FFAR1AKR1B1ALDH1A1KDM4EEGLN1
SCHEMBL9032730 0.68 FFAR1 (0.41) FFAR1AKR1B1ALDH1A1L3MBTL1EGLN1
SCHEMBL9025920 0.68 FFAR1 (0.57) FFAR1AKR1B1ALDH1A1EGLN1PPARG
SCHEMBL18998062 0.67 FFAR1 (0.45) FFAR1AKR1B1AGTR1AGTR2ALDH1A1

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 2 patents. 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
US-5736555-A HYPOTENSIVE AGENTS; FDA ORANGE BOOK LISTED PATENT FOR AZILSARTAN MEDOXOMIL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-07 US disclosed