SCHEMBL6413567

SCHEMBL6413567

CCOP(=O)(OCC)Oc1ccc(CCNC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 4/20 0.51
KMT2A Q03164 2/20 0.51
GLA P06280 1/20 0.51
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MEN1 O00255 1/20 0.46
ACACB O00763 2/20 0.45
PTPN1 P18031 1/20 0.44
GAA P10253 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL5142116 0.83 GLA (0.49) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9849190 0.80 EPHX2 (0.49) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL4519919 0.79 MAPT (0.67) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL7825787 0.79 CA1 (0.48) MAPTKMT2ACA1CA2BCHE
SCHEMBL2419529 0.78 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL5026807 0.76 CA2 (0.70) KMT2ACA1CA2BCHEACHE
SCHEMBL4239096 0.76 POLA1 (0.50) MAPTCA1CA2
SCHEMBL5179183 0.76 CA2 (0.54) KMT2ACA1CA2BCHEACHE
SCHEMBL906952 0.76 CA2 (0.57) SMN1; SMN2KMT2ACA1CA2BCHE
SCHEMBL4583404 0.76 SMN1; SMN2 (0.75) NPC1RAB9ASMN1; SMN2KMT2AGLA

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
EP-1602368-A2 Cdc25 phosphatase inhibitors Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2005-12-07 EP disclosed
EP-1370255-A2 CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-12-17 EP disclosed
WO-2002009686-A2 CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2002-02-07 WO disclosed