SCHEMBL8997648

SCHEMBL8997648

CC(C)(C)OC(=O)N[C@@]1(OC(=O)OCc2ccccc2)CCc2cccc(Oc3ccccc3N)c2C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ACHE P22303 2/20 0.38
GHSR Q92847 1/20 0.35
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CTSL P07711 1/20 0.32
EPHX2 P34913 1/20 0.31
PPARA Q07869 1/20 0.31
KLK7 P49862 1/20 0.31
KLK5 Q9Y337 1/20 0.31
HDAC1 Q13547 1/20 0.31
KDM1A O60341 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL8997628 0.92 CA1 (0.34) SYKCA1CA2ACHEGHSR
SCHEMBL8997699 0.87 CA1 (0.36) SYKCA1CA2ACHEGHSR
SCHEMBL8997631 0.86 SYK (0.35) SYKCA1CA2ACHEGHSR
SCHEMBL8561322 0.86 SYK (0.40) SYKCA1CA2ACHEGHSR
SCHEMBL8575729 0.86 CA1 (0.39) SYKCA1CA2ACHEGHSR
SCHEMBL8567143 0.86 CA1 (0.39) SYKCA1CA2ACHEGHSR
SCHEMBL8997600 0.83 SYK (0.40) SYKCA1CA2ACHE
SCHEMBL8997778 0.83 MEN1 (0.40) SYKCA1CA2ACHEGHSR
SCHEMBL8997594 0.82 SYK (0.40) SYKCA1CA2ACHE
SCHEMBL8997810 0.82 P2RY1 (0.39)

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-0729972-A1 Peptide derivatives of tetrahydronaphthalene F. HOFFMANN-LA ROCHE AG (CH) 1996-09-04 EP disclosed