SCHEMBL8894558

SCHEMBL8894558

CCOC(=O)[C@H](CCc1ccccc1)CC1(C(=O)O)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
ACE P12821 4/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL8733280 1.00 MME (0.48) MMESMN1; SMN2ACEALDH1A1L3MBTL1
SCHEMBL5924842 0.89 MME (0.44) MMEALDH1A1L3MBTL1KMT2A
SCHEMBL9753583 0.89 MME (0.44) MMEALDH1A1L3MBTL1KMT2A
SCHEMBL7321839 0.85 MME (0.45) MME
SCHEMBL9753945 0.83 MME (0.51) MME
SCHEMBL7304172 0.83 SMN1; SMN2 (0.43) MMESMN1; SMN2ACEL3MBTL1MEN1
SCHEMBL9337016 0.82 MME (0.52) MMEALDH1A1
SCHEMBL6430188 0.82 MME (0.52) MMEALDH1A1
SCHEMBL4841680 0.82 SLC15A1 (0.45) MMEALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9753937 0.82 SMN1; SMN2 (0.44) MMESMN1; SMN2ACEMEN1KMT2A

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-5677297-A ENZYME INHIBITOR FOR TREATING THE HEART FAILURE TO REDUCE THE CARDIAC PRESSURE, DIURETICS SOLVAY PHARMACEUTICALS GMBH (DE) 1997-10-14 US disclosed
WO-1991010644-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1991-07-25 WO disclosed