SCHEMBL7303827

SCHEMBL7303827

CCOC(=O)Oc1ccc2c(c1)OC(O)CO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
KMT2A Q03164 3/20 0.43
BCHE P06276 4/20 0.39
ACHE P22303 4/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
FFAR1 O14842 1/20 0.39
ALOX5 P09917 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL7204613 0.80 CYP4F2 (0.46) MTNR1AKMT2ATSHRLMNAPOLB
SCHEMBL6044544 0.79 MAPT (0.51) KMT2ATSHRLMNAPOLBTP53
SCHEMBL19418888 0.75 CYP3A4 (0.40) KMT2AACHELMNAPOLBTP53
SCHEMBL9254561 0.74 CYP4F2 (0.46) KMT2ATSHRLMNAPOLBL3MBTL1
SCHEMBL11571633 0.74 CA2 (0.48) FFAR1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL17591779 0.73 KMT2A (0.41) MTNR1AKMT2AACHELMNAPOLB
SCHEMBL19410273 0.73 CYP19A1 (0.55) KMT2ACYP3A4MAPT
SCHEMBL1519271 0.73 CYP4F2 (0.50) TSHRLMNAPOLBL3MBTL1NPSR1
SCHEMBL5579264 0.71 KMT2A (0.45) KMT2ABCHEACHETSHRLMNA
SCHEMBL8121091 0.70 MTNR1A (0.45) MTNR1AKMT2ATSHRLMNAPOLB

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
EP-0678503-B1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities NOVARTIS AG (CH) 1999-09-01 EP disclosed
EP-0678503-A1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities CIBA-GEIGY AG (CH) 1995-10-25 EP disclosed