SCHEMBL7202070

SCHEMBL7202070

CCOCCCc1cc(C(=O)c2[nH]c3ccc(Cl)cc3c2C(C)C(=O)O)on1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
PTGS2 P35354 4/20 0.40
MEN1 O00255 1/20 0.40
ABCC4 O15439 1/20 0.40
C5 P01031 1/20 0.40
MAPT P10636 1/20 0.40
PTGS1 P23219 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR2 P34972 2/20 0.37
GAA P10253 1/20 0.36
CNR1 P21554 5/20 0.35
SIRT1 Q96EB6 1/20 0.35
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL6172373 0.81 ALDH1A1 (0.48) PTGS2MEN1ABCC4C5MAPT
SCHEMBL7202069 0.79 PTGS2 (0.41) KDM4EPTGS2MEN1ABCC4C5
SCHEMBL6171377 0.73 PTGS2 (0.49) KDM4EPTGS2MEN1ABCC4C5
SCHEMBL6171454 0.70 PTGS2 (0.44) KDM4EPTGS2MEN1ABCC4C5
SCHEMBL6171752 0.70 PTGS2 (0.49) KDM4EPTGS2MEN1ABCC4C5
SCHEMBL6172049 0.69 PTGS2 (0.47) KDM4EPTGS2MEN1ABCC4C5
SCHEMBL6173187 0.69 PTGS2 (0.51) KDM4EPTGS2MEN1ABCC4C5
SCHEMBL6173791 0.69 PTGS2 (0.51) KDM4EPTGS2MEN1ABCC4C5
SCHEMBL6168568 0.68 PTGS2 (0.46) KDM4EPTGS2MEN1ABCC4C5
SCHEMBL6170865 0.68 MAP2 (0.52) PTGS2MEN1ABCC4C5MAPT

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-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed