Deaminohydroxyvaline

Deaminohydroxyvaline

SCHEMBL7828384

CC(C)C(O)C(=O)O.O=C(O)c1ccc(O)c(F)c1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
LMNA P02545 2/20 0.53
HSD17B10 Q99714 2/20 0.53
P4HB P07237 1/20 0.47
GAA P10253 3/20 0.46
PTGS2 P35354 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL226720 0.83 KDM4E (0.71) KDM4ELMNAHSD17B10P4HBGAA
SCHEMBL30574898 0.83 KDM4E (0.71) KDM4ELMNAHSD17B10P4HBGAA
Water SCHEMBL4310345 0.81 KDM4E (0.69) KDM4ELMNAHSD17B10P4HBGAA
SCHEMBL2649763 0.73 KDM4E (0.59) KDM4ELMNAHSD17B10P4HBGAA
SCHEMBL3684976 0.73 ACE2 (0.51) KDM4ELMNAHSD17B10GAAPTGS2
SCHEMBL3468841 0.73 KDM4E (0.68) KDM4ELMNAHSD17B10P4HBGAA
SCHEMBL4609777 0.73 KDM4E (0.69) KDM4ELMNAHSD17B10P4HBGAA
SCHEMBL9068206 0.73 KDM4E (0.55) KDM4ELMNAHSD17B10GAAPTGS2
SCHEMBL32257493 0.72 CA6 (0.64) KDM4ELMNAHSD17B10GAAPTGS2
SCHEMBL383555 0.72 CA6 (0.64) KDM4ELMNAHSD17B10GAAPTGS2

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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed