SCHEMBL11010262

SCHEMBL11010262

COc1cc2c(cc1OC)C(O[C]=O)OC2=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
CYP3A4 P08684 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6805564 0.75 ALDH1A1 (0.46) KDM4EGAACA1CA2CA9
SCHEMBL6204247 0.73 KDM4E (0.43) KDM4ECYP3A4LMNACA1CA2
SCHEMBL28436076 0.73 KDM4E (0.43) KDM4ECYP3A4LMNACA1CA2
SCHEMBL15920753 0.73 KDM4E (0.40) KDM4ECYP3A4LMNACA1CA2
SCHEMBL2335113 0.70 KDM4E (0.41) KDM4ECYP3A4LMNACA1CA2
SCHEMBL14966073 0.70 KDM4E (0.47) KDM4ELMNA
SCHEMBL16209582 0.70 KDM4E (0.47) KDM4ELMNA
SCHEMBL28173707 0.70 KDM4E (0.41) KDM4ELMNA
SCHEMBL28438637 0.69 KDM4E (0.43) KDM4ELMNA
SCHEMBL7834603 0.67 APEX1 (0.71) KDM4ELMNA

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-4508723-A 6-Azaoligocycloalkylmethyleneaminopenam compounds CIBA GEIGY CORPORATION (US) 1985-04-02 US disclosed