SCHEMBL4740579

SCHEMBL4740579

C/C(=C\C(C(=O)O)=C(\C)N)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
PARP1 P09874 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
CYP2C9 P11712 1/20 0.32
PTGS1 P23219 1/20 0.32
AKR1C3 P42330 1/20 0.32
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32

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
SCHEMBL15952901 0.79 MAPT (0.36) MAPTLMNACYP2C9PTGS1AKR1C3
SCHEMBL1254149 0.78 CES2 (0.39) CYP2C9
SCHEMBL1233239 0.76
SCHEMBL4771428 0.76
Methylamine SCHEMBL8343939 0.74 PTGS1 (0.39) MAPTPARP1PARP15PARP10LMNA
Urea SCHEMBL28496350 0.73 LMNA (0.41) MAPTPARP1PARP15PARP10LMNA
Carbamic Acid SCHEMBL27546522 0.73 ACHE (0.44) MAPTPARP1PARP15PARP10LMNA
SCHEMBL8059991 0.72
SCHEMBL10637923 0.70 LDHA (0.44) PARP1PARP15PARP10LMNAALOX15
Carbamic Acid SCHEMBL28286284 0.70 ACHE (0.41) PARP1PARP15PARP10LMNAALOX15

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 ASTRAZENECA AB (SE) 2008-07-17 WO disclosed