SCHEMBL7067987

SCHEMBL7067987

CCCCC(=O)N1C(=O)OC[C@@]1(C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
NAAA Q02083 6/20 0.39
ELANE P08246 2/20 0.39
LMNA P02545 1/20 0.38
IDH1 O75874 3/20 0.37
FAAH O00519 2/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL9257560 0.86 TP53 (0.48) USP2LMNAIDH1TP53MAPT
SCHEMBL27992730 0.85 USP2 (0.44) USP2NAAAELANELMNAFAAH
SCHEMBL28082320 0.83 USP2 (0.42) USP2NAAAELANELMNAFAAH
SCHEMBL10337326 0.73 NAAA (0.54) USP2NAAAFAAHMEN1KMT2A
SCHEMBL6902727 0.70 IDH1 (0.44) LMNAIDH1
SCHEMBL14830721 0.70 MAPK1 (0.38) IDH1TP53MEN1KMT2A
SCHEMBL10308853 0.68 IDH1 (0.48) IDH1
SCHEMBL8475475 0.68 IDH1 (0.51) IDH1
SCHEMBL8475478 0.68 IDH1 (0.51) IDH1
SCHEMBL28613647 0.68 TP53 (0.35) LMNAIDH1TP53

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
EP-0966429-B1 VALNOCTAMIDE STEREOISOMERS, A METHOD FOR THEIR SYNTHESIS AND SEPARATION AND USES THEREOF YISSUM RES DEV CO (IL) 2003-06-04 EP disclosed