SCHEMBL7896033

SCHEMBL7896033

CC(C)=CCC1(CC=C(C)C)C(O)=CC(O)C(=O)C1C(=O)CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ AKR1B10 O60218 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SLC25A5 P05141 1/20 0.32

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
SCHEMBL7896034 0.66 KDM4E (0.35) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL13649105 0.62 SLC25A5 (0.35) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL29957759 0.61 KDM4E (0.32) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL29351523 0.60 ALOX5 (0.61) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL29934449 0.58 ALOX5 (0.54) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL13629033 0.56 KDM4E (0.72) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL31576826 0.56 ALOX5 (0.55) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL12729608 0.56 SLC25A5 (0.37) SLC25A5
SCHEMBL2439244 0.56 ALOX5 (0.37) ALOX5KDM4EMEN1AKR1B10KMT2A
SCHEMBL31576804 0.55 ALOX5 (0.51) ALOX5KDM4EMEN1AKR1B10KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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