SCHEMBL14415255

SCHEMBL14415255

CC(=O)OC1=C(C(C)C)C(=O)OC(C)(C)O1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ACP1 P24666 2/20 0.32
▸ CDC25B P30305 2/20 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
SCHEMBL14420199 0.77 PTPN1 (0.36) PTPN1ALDH1A1L3MBTL1ACP1CDC25B
SCHEMBL18328669 0.66 PTGS2 (0.40) PTPN1ALDH1A1
SCHEMBL15564116 0.63 PTPN1 (0.50) PTPN1ALDH1A1L3MBTL1ACP1CDC25B
SCHEMBL8194669 0.62 PTPN1 (0.59) PTPN1ALDH1A1L3MBTL1ACP1CDC25B
SCHEMBL875613 0.62 PTPN1 (0.49) PTPN1ALDH1A1L3MBTL1ACP1CDC25B
SCHEMBL3590452 0.62 PTPN1 (1.00) PTPN1ALDH1A1L3MBTL1ACP1CDC25B
SCHEMBL9730908 0.62 — —
SCHEMBL8695220 0.59 PTPN1 (0.71) PTPN1ALDH1A1L3MBTL1ACP1CDC25B
SCHEMBL14345128 0.59 PTPN1 (0.36) PTPN1
SCHEMBL18957266 0.58 — —

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-7270944-B2 Compositions, systems, and methods for imaging HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2007-09-18 — — US disclosed
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