SCHEMBL4594736

SCHEMBL4594736

CSCC[C@@H](C(=O)O)N1C(=O)CC(O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
MME P08473 1/20 0.45
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
BCL2 P10415 1/20 0.38
BCL2L2 Q92843 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPM1B O75688 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.33
MAP3K5 Q99683 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ACE P12821 1/20 0.32
GAA P10253 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
SCHEMBL9291274 0.79 MME (0.44) MMEMAPTCYP1A2CYP2C19ACE
SCHEMBL987319 0.79 MAPK1 (0.52) MAPK1MMEKDM4EALOX15BCL2
SCHEMBL988202 0.79 MAPK1 (0.52) MAPK1MMEKDM4EALOX15BCL2
SCHEMBL9853724 0.77 MME (0.47) MMECYP1A2CYP2C19PPM1BSMN1; SMN2
SCHEMBL16339806 0.77 MME (0.47) MAPK1MMEKDM4EKMT2AMAPT
SCHEMBL8818604 0.76 CYP2C19 (0.44) MAPK1MMEKDM4EMEN1KMT2A
SCHEMBL8565353 0.74 MME (0.47) MMECYP1A2CYP2C19PPM1BSMN1; SMN2
SCHEMBL9968845 0.73 MME (0.42) MAPK1MMEKDM4EALOX15BCL2
SCHEMBL18223738 0.72 ALDH1A1 (0.49) MAPK1KDM4EALOX15MEN1KMT2A
SCHEMBL4066871 0.72 MAPK1 (0.56) MAPK1KDM4EALOX15BCL2BCL2L2

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-1931220-B1 FLAVOUR MODULATING SUBSTANCES GIVAUDAN NEDERLAND SERVICES BV (NL) 2013-05-29 EP disclosed
EP-1931220-A1 FLAVOUR MODULATING SUBSTANCES Quest International Services B.V. (NL) 2008-06-18 EP disclosed
WO-2007040399-A1 FLAVOUR MODULATING SUBSTANCES QUEST INTERNATIONAL SERVICES B.V. (NL) 2007-04-12 WO disclosed