SCHEMBL7007779

SCHEMBL7007779

CC(C)CC(=O)CCCCCCCCCCCCCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
HPGD P15428 2/20 0.59
TRPA1 O75762 1/20 0.59
ALDH1A1 P00352 1/20 0.59
KMT2A Q03164 1/20 0.59
CAPN1 P07384 1/20 0.56
ALOX5 P09917 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
CES1 P23141 4/20 0.53
FAAH O00519 3/20 0.53
TRPV1 Q8NER1 1/20 0.52
HDAC3 O15379 1/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
HDAC4 P56524 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50

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
SCHEMBL2443833 0.93 HPGD (0.59) MAPTRXFP1HPGDTRPA1ALDH1A1
SCHEMBL7645395 0.89 TRPA1 (0.61) MAPTRXFP1HPGDTRPA1ALDH1A1
SCHEMBL110046 0.86 TRPA1 (0.64) HPGDTRPA1ALDH1A1KMT2AALOX5
SCHEMBL6570937 0.85 MAPT (0.59) MAPTRXFP1HPGDTRPA1ALDH1A1
SCHEMBL1508071 0.84 MAPT (0.77) MAPTRXFP1TRPA1ALOX5HDAC1
SCHEMBL28609434 0.84 MAPT (0.77) MAPTRXFP1TRPA1ALOX5HDAC1
SCHEMBL11137519 0.84 MAPT (0.77) MAPTRXFP1TRPA1ALOX5HDAC1
SCHEMBL6571377 0.83 LMNA (0.57) MAPTRXFP1HPGDTRPA1ALDH1A1
SCHEMBL7105011 0.83 TRPA1 (0.67) MAPTRXFP1TRPA1ALOX5HDAC1
SCHEMBL4886613 0.82 MAPT (0.73) MAPTRXFP1ALOX5HDAC1HDAC2

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