SCHEMBL6653740

SCHEMBL6653740

CC1(C)OC(=O)C(=CCC(=O)CO)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 12/20 0.38
KDM4E B2RXH2 1/20 0.36
PTPN1 P18031 4/20 0.35
CYP1A2 P05177 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.34
ACP1 P24666 2/20 0.33
CDC25B P30305 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL16235913 0.78 PTPN1 (0.41) L3MBTL1ALDH1A1KDM4EPTPN1CYP1A2
SCHEMBL2310858 0.75 ALDH1A1 (0.41) L3MBTL1ALDH1A1KDM4EPTPN1CYP1A2
SCHEMBL7059040 0.72 ALDH1A1 (0.39) L3MBTL1ALDH1A1KDM4EPTPN1CYP1A2
SCHEMBL3082564 0.71 ALDH1A1 (0.41) L3MBTL1ALDH1A1PTPN1CYP1A2LMNA
SCHEMBL2864614 0.69 PRKCA (0.40) L3MBTL1ALDH1A1PTPN1CYP1A2LMNA
SCHEMBL3082671 0.67 L3MBTL1 (0.49) L3MBTL1ALDH1A1KDM4EPTPN1CYP1A2
SCHEMBL18098832 0.66 ALDH1A1 (0.44) L3MBTL1ALDH1A1KDM4EPTPN1CYP1A2
SCHEMBL5171537 0.66 PTPN1 (0.45) L3MBTL1ALDH1A1PTPN1CYP1A2LMNA
SCHEMBL11194233 0.66 PRKCA (0.38) PTPN1ACP1CDC25B
SCHEMBL20786806 0.65 PTPN1 (0.46) L3MBTL1ALDH1A1PTPN1CYP1A2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490064-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE Pharmacia Corporation (US) 2004-12-29 EP disclosed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 WO disclosed