SCHEMBL27361695

SCHEMBL27361695

COC(=O)c1cc(C(=O)OC)cc(-c2ccoc2C(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
KDM4E B2RXH2 3/20 0.40
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
GLRA3 O75311 1/20 0.38
GLRB P48167 1/20 0.38
LMNA P02545 3/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
XDH P47989 2/20 0.37
GAA P10253 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL8443666 0.95 KDM4E (0.39) CA12CA1CA2CA7CA9
SCHEMBL8444445 0.88 CHRM2 (0.51) CA12CA1CA2CA9CHRM2
Hydrochloric Acid SCHEMBL8440088 0.84 ALDH1A1 (0.41) KDM4ELMNAGAAALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8443489 0.83 CYP2D6 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8440812 0.83 LMNA (0.44) CA12CA9LMNAPOLBL3MBTL1
SCHEMBL8439554 0.82 KEAP1 (0.37) CA12CA1CA2CA7CA9
SCHEMBL27383917 0.71 PTGS1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL8444450 0.70 TNKS (0.40) CA12CA1CA2CA9CHRM2
SCHEMBL24526675 0.70 MEN1 (0.38) CA12CA1CA2CA7CA9
SCHEMBL29742535 0.70 MEN1 (0.38) CA12CA1CA2CA7CA9

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
CN-1070173-C Benzoylguanidine derivatives as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 2001-08-29 CN disclosed
CN-1158606-A Benzoylguanidine derivatives as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 1997-09-03 CN disclosed