SCHEMBL14501892

SCHEMBL14501892

CNC(C(=O)O)C1C(=O)Oc2c(C(C)C)cccc2C1C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.35
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
SOAT1 P35610 1/20 0.32
CYP2C9 P11712 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL14501899 0.81
SCHEMBL14501893 0.79 MAPT (0.32) BRD4
SCHEMBL28060084 0.72 MAPT (0.36) LMNA
SCHEMBL9261653 0.64 GABRA1 (0.39) BRD4LMNASOAT1
SCHEMBL28940452 0.64 MAPT (0.47) LMNAKMT2A
SCHEMBL14031957 0.61 GABRA1 (0.39) LMNA
SCHEMBL7164445 0.60 ALDH1A1 (0.49) KMT2A
SCHEMBL28739361 0.59 OPRM1 (0.32)
SCHEMBL28739293 0.59
SCHEMBL16844493 0.57 LMNA (0.33) LMNAKMT2ASOAT1SMN1; SMN2

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
US-7220875-B2 Amino acid derived prodrugs of propofol, compositions and uses thereof XENOPORT, INC. 2007-05-22 US disclosed