SCHEMBL22845257

SCHEMBL22845257

CCCCCCOCCNC(=O)CNC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.48
CES2 O00748 1/20 0.44
CASP2 P42575 1/20 0.44
EPHX1 P07099 1/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
LPAR1 Q92633 2/20 0.43
LPAR2 Q9HBW0 2/20 0.43
ENPP2 Q13822 1/20 0.43
FAAH O00519 1/20 0.42
ACHE P22303 6/20 0.42
TLR2 O60603 2/20 0.42
NAAA Q02083 1/20 0.42

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
SCHEMBL13864736 1.00 EPHX2 (0.48) EPHX2CES2CASP2EPHX1MEN1
SCHEMBL13864743 0.93 CASP2 (0.49) EPHX2CES2CASP2EPHX1LPAR1
SCHEMBL13864739 0.93 CASP2 (0.49) EPHX2CES2CASP2EPHX1LPAR1
SCHEMBL13864735 0.93 CASP2 (0.49) EPHX2CES2CASP2EPHX1LPAR1
SCHEMBL13864762 0.93 CASP2 (0.49) EPHX2CES2CASP2EPHX1LPAR1
SCHEMBL19133112 0.86 EPHX2 (0.43) EPHX2CASP2MEN1KMT2ALPAR1
SCHEMBL22374761 0.84 FAAH (0.38) EPHX2MEN1KMT2AFAAHTLR2
SCHEMBL13311547 0.84 MEN1 (0.48) EPHX2MEN1KMT2A
SCHEMBL22340558 0.83 KDM4E (0.48) EPHX2CASP2MEN1KMT2AFAAH
SCHEMBL22340820 0.82 CASP2 (0.64) EPHX2CASP2EPHX1MEN1KMT2A

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-2020263935-A1 HCK DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-30 WO disclosed