SCHEMBL7957560

SCHEMBL7957560

CC(C)C[C@@](C(=O)CN)(C(=O)NN)C(C/C=C/c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.37
HTR2A P28223 3/20 0.36
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
KMT2A Q03164 3/20 0.34
ADAM17 P78536 1/20 0.33
CTSC P53634 1/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 2/20 0.33
MAPK1 P28482 1/20 0.33
MASP2 O00187 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL7931033 0.80 MAPT (0.33) GHSRKMT2AMAPTATMMAPK1
SCHEMBL7931036 0.74 GHSR (0.32) GHSR
SCHEMBL6988956 0.73 HTR2A (0.36) GHSRHTR2AGRIK1GRIK2LMNA
SCHEMBL6982221 0.72 REN (0.34) HTR2AKMT2ACTSCMASP2MEN1
SCHEMBL6986026 0.72 REN (0.33) HTR2AKMT2ACTSCMASP2MEN1
SCHEMBL6220493 0.72 ADAM17 (0.48) HTR2AGRIK1GRIK2KMT2AADAM17
SCHEMBL6220496 0.72 ADAM17 (0.48) HTR2AGRIK1GRIK2KMT2AADAM17
SCHEMBL6984686 0.72 ADAM17 (0.48) HTR2AGRIK1GRIK2KMT2AADAM17
SCHEMBL6220502 0.72 ADAM17 (0.48) HTR2AGRIK1GRIK2KMT2AADAM17
SCHEMBL6220497 0.72 ADAM17 (0.48) HTR2AGRIK1GRIK2KMT2AADAM17

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-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 US disclosed