SCHEMBL7005662

SCHEMBL7005662

O=C(CCCCCCCCCCCCCCc1ccccc1)CC1CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
ALOX5 P09917 3/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
FAAH O00519 3/20 0.51
CES1 P23141 3/20 0.51
EPHX1 P07099 1/20 0.51
ACHE P22303 1/20 0.49
SGMS1 Q86VZ5 1/20 0.49
SGMS2 Q8NHU3 1/20 0.49
HDAC3 O15379 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
HDAC4 P56524 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49

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
SCHEMBL7805719 0.94 MAPT (0.53) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL11171348 0.94 EPHX1 (0.56) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL6651781 0.92 EPHX1 (0.58) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL4392999 0.86 ACHE (0.50) FAAHACHESGMS1SGMS2SLC6A3
SCHEMBL4383642 0.84 NAAA (0.46) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL11137519 0.82 MAPT (0.77) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL28609434 0.82 MAPT (0.77) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL1508071 0.82 MAPT (0.77) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL4575954 0.81 MAPT (0.56) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL4886613 0.80 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 17 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-0643732-B1 VINYLAROMATIC BLOCK COPOLYMERS BEING HIGHLY SENSITIVE TO RADIATION CURING AND COMPOSITIONS CONTAINING THEM SHELL INT RESEARCH (NL) 1996-08-28 EP 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
EP-0699182-A1 CYCLOPROPYLACETONITRILE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF AS DRUGS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1996-03-06 EP disclosed
WO-1995025087-A1 CYCLOPROPYLACETONITRILE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF AS DRUGS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1995-09-21 WO disclosed