SCHEMBL8499206

SCHEMBL8499206

CC(C)Cc1c(C(=O)N[C@H](C(=O)C(C(=O)O)C(N)C(=O)CF)C(C)C)n(C)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GFER P55789 1/20 0.35
CNR2 P34972 4/20 0.35
TSHR P16473 1/20 0.34
PTGER4 P35408 6/20 0.34
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 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
SCHEMBL8496443 0.90 L3MBTL1 (0.36) CNR1MEN1KMT2AGFERCNR2
SCHEMBL7390768 0.89 KDM4E (0.42) CNR1CNR2TSHRPTGER4KDM4E
SCHEMBL7389883 0.88 CNR1 (0.38) CNR1MEN1KMT2AGFERCNR2
SCHEMBL7200874 0.85 CASP3 (0.40)
SCHEMBL5667865 0.81 L3MBTL1 (0.42) CNR1MEN1KMT2AGFERCNR2
SCHEMBL27583491 0.81 L3MBTL1 (0.42) CNR1MEN1KMT2AGFERCNR2
SCHEMBL8499200 0.79 MEN1 (0.36) CNR1MEN1KMT2AGFERCNR2
SCHEMBL5670832 0.79 CASP3 (0.44)
SCHEMBL8498353 0.79 PPARG (0.37) CNR1MEN1KMT2ATSHRPTGER4
SCHEMBL7390111 0.79 PTGER4 (0.34) CNR1MEN1KMT2APTGER4KDM4E

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-5877197-A C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 1999-03-02 US disclosed