SCHEMBL9470587

SCHEMBL9470587

CCCC[C@@H]1CC(=O)CC[C@H]1C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALOX12 P18054 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDK1 Q15118 1/20 0.34
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA9 Q16790 3/20 0.33

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
SCHEMBL9469634 1.00 ALDH1A1 (0.46) ALDH1A1POLBL3MBTL1ALOX12TSHR
SCHEMBL9470580 1.00 ALDH1A1 (0.46) ALDH1A1POLBL3MBTL1ALOX12TSHR
SCHEMBL9469633 1.00 ALDH1A1 (0.46) ALDH1A1POLBL3MBTL1ALOX12TSHR
SCHEMBL10401319 0.84 ALDH1A1 (0.42) ALDH1A1POLBL3MBTL1KDM4EKMT2A
SCHEMBL9479809 0.82 TSHR (0.41) ALDH1A1POLBL3MBTL1TSHRHTT
SCHEMBL9479814 0.82 TSHR (0.41) ALDH1A1POLBL3MBTL1TSHRHTT
SCHEMBL9479804 0.82 TSHR (0.41) ALDH1A1POLBL3MBTL1TSHRHTT
SCHEMBL21688377 0.81 ALDH1A1 (0.45) ALDH1A1ALOX12KDM4EKMT2AMEN1
SCHEMBL9469987 0.80 ALDH1A1 (0.39) ALDH1A1POLBL3MBTL1TSHRHTT
SCHEMBL9623268 0.80 MAPT (0.41) ALDH1A1ALOX12KDM4EKMT2AMEN1

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 4 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
US-4960792-A HYPOTENSIVE AGENTS PFIZER INC. (US) 1990-10-02 US disclosed
WO-1990009374-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1990-08-23 WO disclosed