SCHEMBL6271205

SCHEMBL6271205

CC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)CC(C)CCCC(C)C)=C1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ AKR1B10 O60218 1/20 0.61
▸ PTGES O14684 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ DLAT P10515 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ PTPN1 P18031 3/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PDE4A P27815 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
SCHEMBL819253 0.88 ALOX5 (0.78) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL30959751 0.87 ALOX5 (0.63) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL23155161 0.85 ALOX5 (0.61) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL29405771 0.79 ALOX5 (0.57) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL24734305 0.79 ALOX5 (0.55) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL6269360 0.78 ALOX5 (0.42) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL316240 0.78 ALOX5 (0.56) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL31576807 0.78 MEN1 (0.54) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL8667736 0.78 ALOX5 (0.69) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL31576822 0.78 ALOX5 (0.53) ALOX5KDM4EMEN1KMT2AAKR1B10

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 6 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 claimed
US-6177474-B1 AROMATIC COMPOUND CONTAINING KETONE AND HYDROXY GROUPS HOECHST MARION ROUSSEL (FR) 2001-01-23 — — US claimed
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 claimed
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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