SCHEMBL1836066

SCHEMBL1836066

COc1c(O)cccc1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
DRD3 P35462 3/20 0.44
SIGMAR1 Q99720 3/20 0.44
DRD1 P21728 2/20 0.44
TP53 P04637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.43
ALOX12 P18054 2/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.40
DRD2 P14416 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL129790 0.87 ALDH1A1 (0.46) CA1CA2KDM4EMAPTALDH1A1
SCHEMBL27829507 0.84 DRD3 (0.46) CA1CA2DRD3SIGMAR1DRD1
SCHEMBL300777 0.83 CA1 (0.53) CA1CA2DRD3SIGMAR1DRD1
SCHEMBL774014 0.82 CA1 (0.47) CA1CA2DRD3SIGMAR1DRD1
SCHEMBL27856580 0.82 CA1 (0.52) CA1CA2DRD3SIGMAR1DRD1
SCHEMBL774013 0.82 CA1 (0.47) CA1CA2DRD3SIGMAR1DRD1
SCHEMBL20237231 0.81 DRD3 (0.44) CA1CA2DRD3SIGMAR1DRD1
SCHEMBL4486140 0.81 MAPT (0.40) CA1CA2KDM4EMAPTALDH1A1
SCHEMBL796853 0.80 HMGCR (0.47) CA1CA2DRD3SIGMAR1DRD1
SCHEMBL16957573 0.80 CYP4F2 (0.41) CA1CA2TP53KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946482-A1 METHOD FOR PREPARING A 4-HYDROXYBENZALDEHYDE AND DERIVATIVES RHODIA CHIMIE (FR) 1999-10-06 EP claimed
WO-1998022419-A1 METHOD FOR PREPARING A 4-HYDROXYBENZALDEHYDE AND DERIVATIVES RHODIA CHIMIE (FR) 1998-05-28 WO claimed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
CN-101678333-B Process for preparing a hydroxyaromatic aldehyde RHODIA OPERATIONS 2014-01-01 CN disclosed
EP-2321247-A1 METHOD FOR SEPARATING AROMATIC ALDEHYDE Rhodia Opérations (FR) 2011-05-18 EP disclosed
CN-101678333-A Process for preparing a hydroxyaromatic aldehyde RHODIA OPERATIONS 2010-03-24 CN disclosed
EP-2155385-A2 PROCESS FOR PREPARING A HYDROXYAROMATIC ALDEHYDE Rhodia Opérations (FR) 2010-02-24 EP disclosed
WO-2010007161-A1 METHOD FOR SEPARATING AROMATIC ALDEHYDE RHODIA OPERATIONS (FR) 2010-01-21 WO disclosed
WO-2008148760-A2 PROCESS FOR PREPARING A HYDROXYAROMATIC ALDEHYDE RHODIA OPERATIONS (FR) 2008-12-11 WO disclosed
WO-2003064363-A1 METHOD FOR THE PREPARATION OF AN AROMATIC ALDEHYDE RHODIA CHIMIE (FR) 2003-08-07 WO disclosed
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed
EP-0946482-A1 METHOD FOR PREPARING A 4-HYDROXYBENZALDEHYDE AND DERIVATIVES RHODIA CHIMIE (FR) 1999-10-06 EP disclosed
EP-0934244-A1 METHOD FOR SELECTIVE PREPARATION OF A 2-HYDROXYBENZOIC ACID AND A 4-HYDROXYBENZALDEHYDE AND DERIVATIVES RHODIA CHIMIE (FR) 1999-08-11 EP disclosed
WO-1998022419-A1 METHOD FOR PREPARING A 4-HYDROXYBENZALDEHYDE AND DERIVATIVES RHODIA CHIMIE (FR) 1998-05-28 WO disclosed
WO-1998016493-A1 METHOD FOR SELECTIVE PREPARATION OF A 2-HYDROXYBENZOIC ACID AND A 4-HYDROXYBENZALDEHYDE AND DERIVATIVES RHODIA CHIMIE (FR) 1998-04-23 WO disclosed
EP-0386639-A1 Process for preparing para-hydroxybenzyl alcohol MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1990-09-12 EP disclosed
EP-0044260-B1 PROCESS FOR THE PREPARATION OF POLYPHENOLS OPTIONALLY SUBSTITUTED BY AN ALDEHYDE GROUP RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-04-11 EP disclosed
US-4435601-A OXIDATION WITH HYDROGEN PEROXIDE IN ALKALI OR ALKALINE METAL BASE RHONE-POULENC INDUSTRIES (FR) 1984-03-06 US disclosed
EP-0044260-A2 Process for the preparation of polyphenols optionally substituted by an aldehyde group RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-01-20 EP disclosed