SCHEMBL11711852

SCHEMBL11711852

COC(=O)C(C)(C)Oc1ccc(-c2ccc(CCNC(=O)c3cc(Cl)ccc3OC)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.66
HDAC1 Q13547 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
NLRP3 Q96P20 3/20 0.60
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
PKM P14618 1/20 0.55

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
SCHEMBL11684158 0.93 DNMT3A (0.61) DNMT3AHDAC1HDAC6NLRP3KDM4E
SCHEMBL1154123 0.92 DNMT3A (0.66) DNMT3AHDAC1HDAC6NLRP3KDM4E
SCHEMBL11685384 0.89 DNMT3A (0.64) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL3687774 0.89 DNMT3A (0.69) DNMT3AHDAC1HDAC6NLRP3KDM4E
SCHEMBL10305274 0.88 DNMT3A (0.66) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL11709070 0.88 DNMT3A (0.55) DNMT3AHDAC1HDAC6NLRP3ALDH1A1
SCHEMBL1153879 0.85 ALDH1A1 (0.58) DNMT3AHDAC1HDAC6NLRP3KDM4E
SCHEMBL1154171 0.84 DNMT3A (0.66) DNMT3AHDAC1HDAC6NLRP3KDM4E
SCHEMBL1153988 0.84 DNMT3A (0.60) DNMT3AHDAC1HDAC6NLRP3KDM4E
SCHEMBL1154002 0.84 DNMT3A (0.60) DNMT3AHDAC1HDAC6NLRP3KDM4E

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-4010279-A BIPHENYLOXY DERIVATIVES AND ANTIHYPERLIPIDEMIC USE BOEHRINGER INGELHEIM GMBH (DT) 1977-03-01 US disclosed