SCHEMBL7330817

SCHEMBL7330817

CCOC(=O)C(=O)CCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.62
PLAAT3 P53816 3/20 0.57
PLAAT5 Q96KN8 3/20 0.57
PLAAT2 Q9NWW9 3/20 0.57
PLAAT4 Q9UL19 3/20 0.57
SRD5A2 P31213 1/20 0.55
FFAR4 Q5NUL3 3/20 0.54
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
CRHBP P24387 1/20 0.51
RAB9A P51151 1/20 0.51
CRHR2 Q13324 1/20 0.51
EPHX2 P34913 1/20 0.48
CES1 P23141 2/20 0.47
ADAM17 P78536 1/20 0.46

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 0.88 L3MBTL1 (0.55) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2773677 0.85 FFAR1 (0.66) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9725829 0.85 FFAR1 (0.65) FFAR1FFAR4EPHX2
Alcohol SCHEMBL28404120 0.84 L3MBTL1 (0.52) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7060212 0.83 F2RL1 (0.58) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7270063 0.81 FFAR1 (0.74) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9726057 0.81 CYP4F2 (0.53) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1375513 0.80 CYP4F2 (0.51) HPGD
SCHEMBL27472366 0.79 ALOX5 (0.61) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7061931 0.79 CYP1A2 (0.51) FFAR1NPC1RAB9A

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
US-4472380-A CARBOXYALKYL DIPEPTIDE DERIVATIVES MERCK & CO., INC. (US) 1984-09-18 US disclosed
US-4374829-A Aminoacid derivatives as antihypertensives MERCK & CO., INC. (US) 1983-02-22 US disclosed
EP-0012401-A1 Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1980-06-25 EP disclosed