SCHEMBL6275022

SCHEMBL6275022

CCC(C)C(=O)C1=C(O)C=C(O)C(C/C=C(\C)CCC=C(C)C)(C/C=C(\C)CCC=C(C)C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 8/20 0.38
▸ FNTA P49354 2/20 0.36
▸ FNTB P49356 2/20 0.36
▸ XDH P47989 1/20 0.34
▸ PTGS1 P23219 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ POLL Q9UGP5 1/20 0.33

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
SCHEMBL6275024 1.00 ALOX5 (0.38) ALOX5FNTAFNTBXDHPTGS1
SCHEMBL6269718 0.83 ALOX5 (0.44) ALOX5FNTAFNTBPTGS1PPARG
SCHEMBL6274814 0.83 ALOX5 (0.44) ALOX5FNTAFNTBPTGS1PPARG
SCHEMBL6270487 0.79 ALOX5 (0.59) ALOX5
SCHEMBL6273624 0.77 TRPV1 (0.42) POLL
SCHEMBL6273404 0.77 TRPV1 (0.42) POLL
SCHEMBL21122607 0.74 ALOX5 (0.45) ALOX5TDP1
SCHEMBL6275233 0.72 ALOX5 (0.53) ALOX5
SCHEMBL31355460 0.70 ALOX5 (0.61) ALOX5XDH
SCHEMBL817774 0.67 ALOX5 (0.53) ALOX5XDH

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
EP-0994093-B1 POLYHYDROXYPHENOL DERIVATIVES AND PREVENTIVE AND THERAPEUTIC AGENTS FOR BONE AND CARTILAGE DISEASES CONTAINING THE SAME HOECHST MARION ROUSSEL LTD (JP) 2005-12-28 — — EP disclosed
US-6177474-B1 AROMATIC COMPOUND CONTAINING KETONE AND HYDROXY GROUPS HOECHST MARION ROUSSEL (FR) 2001-01-23 — — US disclosed
EP-0994093-A1 POLYHYDROXYPHENOL DERIVATIVES AND PREVENTIVE AND THERAPEUTIC AGENTS FOR BONE AND CARTILAGE DISEASES CONTAINING THE SAME Hoechst Marion Roussel, Ltd. (JP) 2000-04-19 — — EP disclosed
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