SCHEMBL9753937

SCHEMBL9753937

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
CTSL P07711 3/20 0.41
CTSB P07858 3/20 0.41
CTSK P43235 3/20 0.41
ACE P12821 5/20 0.40
MME P08473 1/20 0.40
KCNA3 P22001 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 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
SCHEMBL7304172 0.87 SMN1; SMN2 (0.43) SMN1; SMN2CTSLCTSBCTSKACE
SCHEMBL9337020 0.84 CTSL (0.43) CTSLCTSBCTSKMME
SCHEMBL8894558 0.82 MME (0.48) SMN1; SMN2ACEMMEMEN1NPC1
SCHEMBL8733280 0.82 MME (0.48) SMN1; SMN2ACEMMEMEN1NPC1
SCHEMBL9753834 0.80 MME (0.40) CTSLCTSBCTSKMME
SCHEMBL18065697 0.78 SMN1; SMN2 (0.57) SMN1; SMN2MEN1NPC1KMT2ALMNA
SCHEMBL27636583 0.76 SMN1; SMN2 (0.53) SMN1; SMN2CTSKACEMEN1NPC1
SCHEMBL18085413 0.75 SMN1; SMN2 (0.55) SMN1; SMN2MEN1NPC1KMT2AMAPT
SCHEMBL7412656 0.74 L3MBTL1 (0.39) CTSLCTSBCTSK
SCHEMBL18065695 0.74 EPHX2 (0.54) SMN1; SMN2MEN1NPC1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991010644-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1991-07-25 WO disclosed