SCHEMBL11456503

SCHEMBL11456503

CC(C)=CCC/C(C)=C/COc1ccc2cc(C(=O)O)oc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 6/20 0.71
▸ NDUFS8 O00217 4/20 0.71
▸ COXFA4 O00483 4/20 0.71
▸ NDUFAB1 O14561 4/20 0.71
▸ NDUFA1 O15239 4/20 0.71
▸ NDUFS4 O43181 4/20 0.71
▸ NDUFB5 O43674 4/20 0.71
▸ NDUFB3 O43676 4/20 0.71
▸ NDUFC1 O43677 4/20 0.71
▸ NDUFA2 O43678 4/20 0.71
▸ NDUFS5 O43920 4/20 0.71
▸ NDUFS7 O75251 4/20 0.71
▸ NDUFS2 O75306 4/20 0.71
▸ NDUFS6 O75380 4/20 0.71
▸ NDUFB1 O75438 4/20 0.71
▸ NDUFS3 O75489 4/20 0.71
▸ NDUFB6 O95139 4/20 0.71
▸ NDUFA3 O95167 4/20 0.71
▸ NDUFB4 O95168 4/20 0.71
▸ NDUFB8 O95169 4/20 0.71

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
SCHEMBL11456504 1.00 ALOX15 (0.71) ALOX15NDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL11457189 0.99 ALOX15 (0.71) ALOX15NDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL11457190 0.99 ALOX15 (0.71) ALOX15NDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL17701103 0.86 MAOB (0.81) ALOX15NDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL17701101 0.86 MAOB (0.81) ALOX15NDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL18292786 0.85 MAOB (0.80) ALOX15NDUFS8COXFA4NDUFAB1NDUFA1
Auraptene SCHEMBL2535034 0.83 ALOX15 (1.00) ALOX15NDUFS8COXFA4NDUFAB1NDUFA1
Auraptene SCHEMBL2535029 0.83 ALOX15 (1.00) ALOX15NDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL18292779 0.83 MAOB (0.83) ALOX15NDUFS8COXFA4NDUFAB1NDUFA1
Umbelliprenin SCHEMBL18265478 0.82 ALOX15 (1.00) ALOX15NDUFS8COXFA4NDUFAB1NDUFA1

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-4229467-A Alkoxy benzofuran carboxylic acids and salts and esters thereof as hypolipidemic agents RICHARDSON-MERRELL INC. (US) 1980-10-21 — — US disclosed
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