SCHEMBL7389883

SCHEMBL7389883

CC(C)[C@H](NC(=O)c1c(Cl)c2ccccc2n1C)C(=O)C(C(=O)O)C(N)C(=O)CF

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.38
PTGER4 P35408 6/20 0.37
CNR2 P34972 4/20 0.36
EGLN1 Q9GZT9 2/20 0.35
MEN1 O00255 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7390768 0.91 KDM4E (0.42) CNR1PTGER4CNR2KDM4EL3MBTL1
SCHEMBL8499206 0.88 CNR1 (0.36) CNR1PTGER4CNR2MEN1GFER
SCHEMBL7390111 0.88 PTGER4 (0.34) CNR1PTGER4MEN1KMT2AKDM4E
SCHEMBL8496443 0.87 L3MBTL1 (0.36) CNR1PTGER4CNR2MEN1GFER
SCHEMBL5667865 0.84 L3MBTL1 (0.42) CNR1PTGER4CNR2MEN1GFER
SCHEMBL27583491 0.84 L3MBTL1 (0.42) CNR1PTGER4CNR2MEN1GFER
SCHEMBL8498353 0.81 PPARG (0.37) CNR1PTGER4MEN1KMT2AKDM4E
SCHEMBL8501454 0.80 TRPA1 (0.50) CNR2MEN1KMT2ANPC1
SCHEMBL5669691 0.79 KDM4E (0.38) CNR1PTGER4CNR2KDM4EL3MBTL1
SCHEMBL7389876 0.79 PTGER4 (0.37) CNR1PTGER4CNR2EGLN1MEN1

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 2 patents. 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
US-5869519-A USE OF SUCH COMPOSITIONS IN THE TREATMENT OF PATIENTS SUFFERING INFLAMMATORY, AUTOIMMUNE AND NEURODEGENERATIVE DISEASES, FOR THE PREVENTION OF ISCHEMIC INJURY, AND FOR THE PRESERVATION OF ORGANS THAT ARE TO UNDERGO A TRANSPLANTATION IDUN PHARMACEUTICALS, INC. (US) 1999-02-09 US disclosed