SCHEMBL8103699

SCHEMBL8103699

COc1ccc(CCCC(CC2(C(=O)O)CCCC2)C(=O)OC(C)(C)C)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
LDHA P00338 1/20 0.39
MME P08473 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B1 P14061 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
Bicarbonate SCHEMBL8103701 0.79 KMT2A (0.47) MTNR1AMTNR1BMEN1KMT2AL3MBTL1
SCHEMBL7321839 0.79 MME (0.45) MME
SCHEMBL8894806 0.76 KMT2A (0.43) MTNR1AMTNR1BMEN1KMT2AL3MBTL1
SCHEMBL9469991 0.74 MEN1 (0.33) MMEMEN1KMT2A
SCHEMBL5702726 0.74 MME (0.41) MMEMEN1KMT2A
SCHEMBL5702723 0.74 MME (0.41) MMEMEN1KMT2A
SCHEMBL9469250 0.73 L3MBTL1 (0.46) MMEL3MBTL1
SCHEMBL7412653 0.73 L3MBTL1 (0.40) MMEL3MBTL1
SCHEMBL9470030 0.73 MME (0.36) MMEKMT2AHSD11B1
SCHEMBL9367708 0.72 MME (0.32) MMEMEN1KMT2A

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
EP-0733642-B1 Benzazepin-, benzoxazepin- and benzothiazepin-N-acetic acid-derivatives, their preparation and their pharmaceutical compositions SOLVAY PHARM GMBH (DE) 2000-11-29 EP disclosed
US-5677297-A ENZYME INHIBITOR FOR TREATING THE HEART FAILURE TO REDUCE THE CARDIAC PRESSURE, DIURETICS SOLVAY PHARMACEUTICALS GMBH (DE) 1997-10-14 US disclosed
EP-0733642-A1 Benzazepin-, benzoxazepin- and benzothiazepin-N-acetic acid-derivatives, their preparation and their pharmaceutical compositions Kali-Chemie Pharma GmbH (DE) 1996-09-25 EP disclosed