SCHEMBL8997600

SCHEMBL8997600

COC(=O)O[C@]1(NC(=O)OC(C)(C)C)CCc2cccc(Oc3ccccc3CNC(=O)OCc3ccccc3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39
KCNA5 P22460 9/20 0.38
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
RPS6KA1 Q15418 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8997593 0.89 ALDH1A1 (0.35) SYKCA1CA2ACHEKCNA5
SCHEMBL8581093 0.87 GHSR (0.40) SYKCA1CA2ACHEKCNA5
SCHEMBL8575729 0.87 CA1 (0.39) SYKCA1CA2ACHEMAPT
SCHEMBL8567143 0.87 CA1 (0.39) SYKCA1CA2ACHEMAPT
SCHEMBL8997625 0.84 GHSR (0.37) ITGA4ITGB7RPS6KA1MAPTLMNA
SCHEMBL8997648 0.83 SYK (0.38) SYKCA1CA2ACHE
SCHEMBL8997699 0.81 CA1 (0.36) SYKCA1CA2ACHEALDH1A1
SCHEMBL8561422 0.80 CTSV (0.36) CA1CA2ACHEITGA4ITGB7
SCHEMBL8997631 0.80 SYK (0.35) SYKCA1CA2ACHE
SCHEMBL8561322 0.79 SYK (0.40) SYKCA1CA2ACHE

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