SCHEMBL11684158

SCHEMBL11684158

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

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.61
HDAC1 Q13547 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
NLRP3 Q96P20 3/20 0.56
ABCB11 O95342 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
HTR2A P28223 1/20 0.52
PMP22 Q01453 1/20 0.52
PPARA Q07869 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
PKM P14618 1/20 0.52

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
SCHEMBL11685384 0.97 DNMT3A (0.64) DNMT3AHDAC1HDAC6NLRP3ABCB11
SCHEMBL11711852 0.93 DNMT3A (0.66) DNMT3AHDAC1HDAC6NLRP3KDM4E
SCHEMBL11683540 0.91 PPARA (0.54) DNMT3AABCB11CYP1A2CYP3A4TSHR
SCHEMBL10305346 0.89 PPARA (0.54) DNMT3ANLRP3ABCB11CYP1A2CYP3A4
SCHEMBL1154123 0.89 DNMT3A (0.66) DNMT3AHDAC1HDAC6NLRP3PPARA
SCHEMBL11686019 0.87 MAPT (0.50) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL10305304 0.87 DNMT3A (0.47) DNMT3AHDAC1HDAC6NLRP3ABCB11
SCHEMBL3687774 0.86 DNMT3A (0.69) DNMT3AHDAC1HDAC6NLRP3PPARA
SCHEMBL10305274 0.85 DNMT3A (0.66) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL11709070 0.85 DNMT3A (0.55) DNMT3AHDAC1HDAC6NLRP3ABCB11

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-4010279-A BIPHENYLOXY DERIVATIVES AND ANTIHYPERLIPIDEMIC USE BOEHRINGER INGELHEIM GMBH (DT) 1977-03-01 US claimed
US-4042711-A Derivatives of biphenyloxy-lower alkanoic acids, salts thereof and their use as antihyperlipidemics BOEHRINGER INGELHEIM GMBH (DT) 1977-08-16 US disclosed
US-4010279-A BIPHENYLOXY DERIVATIVES AND ANTIHYPERLIPIDEMIC USE BOEHRINGER INGELHEIM GMBH (DT) 1977-03-01 US disclosed