SCHEMBL9470405

SCHEMBL9470405

CCCCC1=CC(=O)CCC1C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.43
ALDH1A1 P00352 6/20 0.42
POLB P06746 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
RECQL P46063 1/20 0.39
DNTT P04053 2/20 0.36
POLA1 P09884 2/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL10401319 0.85 ALDH1A1 (0.42) TLR4ALDH1A1POLBL3MBTL1MEN1
SCHEMBL9753067 0.82 MEN1 (0.50) TLR4ALDH1A1POLBL3MBTL1MEN1
SCHEMBL20103471 0.81 TLR4 (0.43) TLR4ALDH1A1POLBL3MBTL1MEN1
SCHEMBL17118109 0.79 TLR4 (0.49) TLR4ALDH1A1POLBL3MBTL1MEN1
SCHEMBL1141761 0.79 TLR4 (0.49) TLR4ALDH1A1POLBL3MBTL1MEN1
SCHEMBL7633659 0.71 MEN1 (0.46) TLR4ALDH1A1MEN1KMT2AMAPT
SCHEMBL7634605 0.71 CHRM2 (0.50) TLR4ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1134463 0.70 ALDH1A1 (0.53) TLR4ALDH1A1MEN1KMT2AMAPT
SCHEMBL1536082 0.70 ALDH1A1 (0.50) TLR4ALDH1A1POLBL3MBTL1MEN1
SCHEMBL7638589 0.69 TLR4 (0.41) TLR4ALDH1A1MEN1KMT2AMAPT

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-5192800-A Hypotensive agents PFIZER INC. (US) 1993-03-09 US disclosed
US-5030654-A Glutaramide diuretic agents PFIZER INC. (US) 1991-07-09 US disclosed
WO-1990009374-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1990-08-23 WO disclosed