SCHEMBL14420199

SCHEMBL14420199

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.36
▸ ALDH1A1 P00352 5/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ ACP1 P24666 2/20 0.31
▸ CDC25B P30305 2/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ APBA1 Q02410 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL14415255 0.77 PTPN1 (0.44) PTPN1ALDH1A1L3MBTL1ACP1CDC25B
SCHEMBL18328669 0.70 PTGS2 (0.40) PTPN1ALDH1A1LMNAKDM4EGAA
SCHEMBL12033661 0.69 PTPN1 (0.42) PTPN1ALDH1A1L3MBTL1LMNAACP1
SCHEMBL10572506 0.68 PTPN1 (0.40) PTPN1ALDH1A1L3MBTL1LMNAACP1
SCHEMBL18957266 0.67 — —
SCHEMBL30835563 0.65 KDM4E (0.33) ALDH1A1LMNACACNA1BAPBA1KDM4E
SCHEMBL9730908 0.65 — —
SCHEMBL15564116 0.63 PTPN1 (0.50) PTPN1ALDH1A1L3MBTL1KMT2ALMNA
SCHEMBL875613 0.62 PTPN1 (0.49) PTPN1ALDH1A1L3MBTL1LMNAACP1
SCHEMBL29049142 0.62 CACNA1B (0.31) ALDH1A1LMNACACNA1BAPBA1HPGD

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
Send feedback