SCHEMBL8440725

SCHEMBL8440725

COC(=O)c1cc(CO)cc(-c2cccc3occc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GSK3B P49841 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36

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
SCHEMBL8444450 0.89 TNKS (0.40) CYP1A1CYP1A2CYP1B1MAPTSMN1; SMN2
SCHEMBL8442957 0.83 CHRM2 (0.49) SMN1; SMN2HTTCHRM2CHRM4CHRM5
SCHEMBL8441352 0.78 FYN (0.41) CYP1A2HPGDKDM4EALDH1A1LMNA
SCHEMBL21817675 0.76 CYP4F2 (0.44) CYP4F2CYP4A11LOXL2TSHRHPGD
SCHEMBL2409006 0.75 CYP4F2 (0.43) CYP4F2CYP4A11LOXL2MAPTSMN1; SMN2
SCHEMBL7824090 0.73 EGFR (0.52) CYP4F2CYP4A11LOXL2MAPTTSHR
SCHEMBL8442873 0.73 KEAP1 (0.43) MAPTSMN1; SMN2THRBTSHRHPGD
SCHEMBL21819238 0.72 MKNK1 (0.49) CYP4F2CYP4A11LOXL2SMN1; SMN2HPGD
SCHEMBL21818278 0.72 PPARG (0.46) CYP4F2CYP4A11SMN1; SMN2
SCHEMBL3477961 0.72 ESR2 (0.42) CYP4F2CYP4A11LOXL2HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed