SCHEMBL11343111

SCHEMBL11343111

CC12CC(O)C(O)C(C)(C)C1C(O)C2

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.31
▸ PTPN1 P18031 1/20 0.30

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
SCHEMBL11160641 0.67 PTPN1 (0.33) PTPN1
SCHEMBL11311495 0.64 — —
SCHEMBL11393703 0.64 — —
SCHEMBL6367480 0.60 PTPN1 (0.34) GAAPTPN1
SCHEMBL23451878 0.60 PTPN1 (0.38) GAAPTPN1
SCHEMBL16386238 0.58 ESR1 (0.31) —
SCHEMBL23451942 0.58 ESR1 (0.31) —
SCHEMBL14571097 0.58 ESR1 (0.31) —
SCHEMBL13208978 0.56 — —
SCHEMBL13369413 0.56 — —

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-0040353-A1 Process for the preparation of lineatine CELAMERCK GmbH & Co. KG (DE) 1981-11-25 — — EP claimed
Send feedback