SCHEMBL14511465

SCHEMBL14511465

C/C(=C\COc1ccc2ccc(=O)oc2c1)CCC1OC2(C=Cc3c(cc4occc4c3OCCC(C)/C=C/CC(C)(C)O)O2)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NDUFS8 O00217 5/20 0.41
COXFA4 O00483 5/20 0.41
NDUFAB1 O14561 5/20 0.41
NDUFA1 O15239 5/20 0.41
NDUFS4 O43181 5/20 0.41
NDUFB5 O43674 5/20 0.41
NDUFB3 O43676 5/20 0.41
NDUFC1 O43677 5/20 0.41
NDUFA2 O43678 5/20 0.41
NDUFS5 O43920 5/20 0.41
NDUFS7 O75251 5/20 0.41
NDUFS2 O75306 5/20 0.41
NDUFS6 O75380 5/20 0.41
NDUFB1 O75438 5/20 0.41
NDUFS3 O75489 5/20 0.41
NDUFB6 O95139 5/20 0.41
NDUFA3 O95167 5/20 0.41
NDUFB4 O95168 5/20 0.41
NDUFB8 O95169 5/20 0.41
NDUFB2 O95178 5/20 0.41

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
SCHEMBL14495421 0.91 CYP3A4 (0.42) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL13714667 0.88 CYP3A4 (0.49) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL13714733 0.88 CYP3A4 (0.49) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL13714665 0.88 CYP3A4 (0.49) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL13743063 0.88 CYP3A4 (0.47) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL13962606 0.86 CYP3A4 (0.47) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL13714668 0.80 CYP3A4 (0.59) CA12CA1CA7CA9CA13
SCHEMBL13714673 0.80 CYP3A4 (0.59) CA12CA1CA7CA9CA13
SCHEMBL13714872 0.80 CYP3A4 (0.59) CA12CA1CA7CA9CA13
SCHEMBL13714894 0.80 CYP3A4 (0.68) CYP3A4

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-7230027-B2 Anti-first-pass effect compounds BIOAVAILABILITY SYSTEMS, L.L.C. (US) 2007-06-12 US disclosed