SCHEMBL9725829

SCHEMBL9725829

CCOC(=O)C(=O)CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.65
FFAR4 Q5NUL3 3/20 0.65
NR1H4 Q96RI1 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LTB4R Q15722 1/20 0.54
LTB4R2 Q9NPC1 1/20 0.54
ALOX5 P09917 2/20 0.53
AKR1B1 P15121 1/20 0.52
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LTA4H P09960 2/20 0.52
EPHX2 P34913 2/20 0.52
MAOB P27338 1/20 0.51

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
SCHEMBL304796 0.87 L3MBTL1 (0.55) FFAR1ALDH1A1L3MBTL1ALOX5TDP1
SCHEMBL5349028 0.86 NR1H4 (0.64) FFAR1FFAR4NR1H4ALDH1A1LMNA
SCHEMBL3091164 0.86 FFAR1 (0.68) FFAR1FFAR4NR1H4ALDH1A1LMNA
SCHEMBL1171712 0.85 NR1H4 (0.60) NR1H4ALDH1A1LMNAL3MBTL1LTA4H
SCHEMBL7330817 0.85 FFAR1 (0.62) FFAR1FFAR4EPHX2
Alcohol SCHEMBL28404120 0.84 L3MBTL1 (0.52) FFAR1ALDH1A1L3MBTL1ALOX5TDP1
SCHEMBL2773462 0.82 FFAR1 (0.68) FFAR1FFAR4NR1H4ALDH1A1LMNA
SCHEMBL3744601 0.82 FFAR1 (0.62) FFAR1FFAR4NR1H4ALDH1A1LMNA
SCHEMBL19825762 0.81 FFAR1 (0.61) FFAR1FFAR4NR1H4ALDH1A1LMNA
SCHEMBL7059127 0.81 PLAAT3 (0.61) FFAR1FFAR4ALDH1A1L3MBTL1ALOX5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098892-A Angiotensin converting enzyme inhibitors as hypotensive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-03-24 US disclosed
US-4822818-A ANTIHYPERTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US disclosed
US-4474692-A L-Alanyl-N-(indan-2-yl)glycine, its esters and salts thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-10-02 US disclosed
EP-0051391-B1 BICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-09-05 EP disclosed
EP-0051391-A1 Bicyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-05-12 EP disclosed