SCHEMBL4682883

SCHEMBL4682883

CCCCOC(=O)NC(C(=O)O)c1ccc(OCC(=O)NC)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 1/20 0.51
ATM Q13315 2/20 0.45
KMT2A Q03164 1/20 0.45
FAAH O00519 3/20 0.44
RECQL P46063 2/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.41
PLA2G4B P0C869 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.40
ACACB O00763 1/20 0.40

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
SCHEMBL5222244 0.87 SMN1; SMN2 (0.52) POLBSMN1; SMN2MAPK1ATMKMT2A
SCHEMBL4686341 0.87 SMN1; SMN2 (0.60) POLBSMN1; SMN2MAPK1ATMFAAH
SCHEMBL3648170 0.85 SMN1; SMN2 (0.53) POLBSMN1; SMN2MAPK1ATMFAAH
SCHEMBL3645386 0.83 SMN1; SMN2 (0.56) POLBSMN1; SMN2MAPK1ATMFAAH
SCHEMBL5505866 0.83 SMN1; SMN2 (0.56) POLBSMN1; SMN2MAPK1ATMFAAH
SCHEMBL4685821 0.83 ATM (0.63) POLBSMN1; SMN2MAPK1ATMKMT2A
SCHEMBL5088955 0.82 SMN1; SMN2 (0.52) POLBSMN1; SMN2MAPK1ATMFAAH
SCHEMBL4683920 0.82 SMN1; SMN2 (0.58) POLBSMN1; SMN2MAPK1ATMKMT2A
SCHEMBL5088941 0.82 SMN1; SMN2 (0.52) POLBSMN1; SMN2MAPK1ATMFAAH
SCHEMBL4685710 0.82 SMN1; SMN2 (0.49) POLBSMN1; SMN2MAPK1ATMFAAH

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-1989186-A1 HYDANTOIN BASED KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-12 EP disclosed
WO-2008101840-A1 COMBINATION OF ERLOTINIB AND MEK-INHIBITORS FOR INHIBITING PROLIFERATION OF TUMOR CELLS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-28 WO disclosed
WO-2007096259-A1 HYDANTOIN BASED KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed