SCHEMBL13189754

SCHEMBL13189754

CC(C)[C@@H](C(=O)O)N1CC(O)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.38
APEX1 P27695 1/20 0.38
BLM P54132 1/20 0.38
RAB9A P51151 1/20 0.35
POLB P06746 3/20 0.35
MME P08473 1/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL20676021 0.81 MAPT (0.72) MAPTKMT2APOLBLMNASMN1; SMN2
SCHEMBL27280782 0.77 MAPT (0.60) MAPTKMT2AAPEX1BLMPOLB
SCHEMBL21827346 0.77 MAPT (0.60) MAPTKMT2AAPEX1BLMPOLB
SCHEMBL24252607 0.77 MAPT (0.60) MAPTKMT2AAPEX1BLMPOLB
SCHEMBL13189284 0.76 SMN1; SMN2 (0.43) MAPTKMT2AAPEX1BLMPOLB
SCHEMBL11623232 0.74 APEX1 (0.46) MAPTKMT2AAPEX1BLMPOLB
SCHEMBL11103604 0.70 DPP4 (0.44) MAPTRAB9A
SCHEMBL9739887 0.70 DPP4 (0.44) MAPTRAB9A
SCHEMBL21878237 0.69 MAPT (0.42) MAPTKMT2ARAB9APOLB
SCHEMBL21878234 0.69 MAPT (0.42) MAPTKMT2ARAB9APOLB

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-2010106441-A2 PEPTIDOMIMETICS FOR MODULATING INTERLEUKIN-1 RECEPTOR CENTRE HOSPITALIER UNIVERSITAIRE SAINTE-JUSTINE (CA) 2010-09-23 WO disclosed