SCHEMBL7005575

SCHEMBL7005575

CCCCCCCCCCCCCC(Cc1ccc(C)cc1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 17/20 0.44
▸ MMP3 P08254 12/20 0.44
▸ MMP1 P03956 10/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MMP7 P09237 6/20 0.42

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
SCHEMBL10809828 0.88 ESR1 (0.50) MMP2MMP3MMP1
SCHEMBL7768894 0.88 PTGES (0.50) MMP2MMP1
SCHEMBL28223654 0.88 PTGES (0.50) MMP2MMP1
SCHEMBL7201839 0.86 PPARA (0.49) MMP2MMP3MMP1HPGD
SCHEMBL5017227 0.86 MMP2 (0.57) MMP2MMP3MMP1MMP7
SCHEMBL28211408 0.86 MMP2 (0.57) MMP2MMP3MMP1MMP7
SCHEMBL2945682 0.84 MMP2 (0.55) MMP2MMP3MMP1MMP7
SCHEMBL7205276 0.84 MMP9 (0.53) MMP2MMP3MMP1
P-Xylene SCHEMBL756336 0.81 PPARG (0.55) —
SCHEMBL9188537 0.81 PPARG (0.55) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 — — EP claimed
EP-0912467-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1999-05-06 — — EP claimed
WO-1998000375-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1998-01-08 — — WO claimed
EP-1268496-A1 WATER SOLUBLE CHIRAL DIPHOSPHINES RHODIA CHIMIE (FR) 2003-01-02 — — EP disclosed
EP-1161481-B1 OPTICALLY ACTIVE LINEAR POLYMER USED AS LIGAND IN THE PREPARATION OF METALLIC COMPLEXES DESIGNED FOR ASYMMETRIC CATALYSIS RHODIA CHIMIE SA (FR) 2002-12-04 — — EP disclosed
WO-2002040493-A1 ASYMMETRIC METAL COMPLEXES BASED ON A TRANSITION METAL USEFUL FOR ENANTIOSELECTIVE REDUCTION OF KETONE DERIVATIVES BY HYDRIDE TRANSFER RHODIA CHIMIE (FR) 2002-05-23 — — WO disclosed
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 — — EP disclosed
EP-1161481-A1 OPTICALLY ACTIVE LINEAR POLYMER USED AS LIGAND IN THE PREPARATION OF METALLIC COMPLEXES DESIGNED FOR ASYMMETRIC CATALYSIS RHODIA CHIMIE (FR) 2001-12-12 — — EP disclosed
EP-1153031-A1 METHOD FOR PREPARING CHIRAL DIPHOSPHINES RHODIA CHIMIE (FR) 2001-11-14 — — EP disclosed
WO-2001074828-A1 WATER SOLUBLE CHIRAL DIPHOSPHINES RHODIA CHIMIE (FR) 2001-10-11 — — WO disclosed
WO-2000052081-A1 OPTICALLY ACTIVE LINEAR POLYMER USED AS LIGAND IN THE PREPARATION OF METALLIC COMPLEXES DESIGNED FOR ASYMMETRIC CATALYSIS RHODIA CHIMIE (FR) 2000-09-08 — — WO disclosed
WO-2000049028-A1 METHOD FOR PREPARING CHIRAL DIPHOSPHINES RHODIA CHIMIE (FR) 2000-08-24 — — WO disclosed
EP-0912467-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1999-05-06 — — EP disclosed
WO-1998000375-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1998-01-08 — — WO disclosed
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