SCHEMBL4612366

SCHEMBL4612366

CC(C)COP(=O)(OCC(C)C)C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PIN1 Q13526 2/20 0.42
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
ELANE P08246 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39

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
SCHEMBL11518818 0.92 LMNA (0.45) CYP3A4NPSR1ALDH1A1TSHRMEN1
SCHEMBL4609596 0.85 ALDH1A1 (0.44) CYP3A4ALDH1A1MEN1KMT2ALMNA
SCHEMBL4612083 0.82 CA1 (0.47) NPSR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL425583 0.80 NR1I2 (0.54) NPSR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL4609601 0.79 ALDH1A1 (0.47) CYP3A4NPSR1ALDH1A1TSHRMEN1
SCHEMBL4612087 0.77 CYP3A4 (0.42) CYP3A4NPSR1ALDH1A1TSHRMEN1
SCHEMBL4610603 0.76 ALDH1A1 (0.53) CYP3A4ALDH1A1TSHRMEN1KMT2A
SCHEMBL11517214 0.76 NR1I2 (0.50) NPSR1ALDH1A1TSHRMEN1KMT2A
SCHEMBL4612106 0.76 PRSS1 (0.44) ALDH1A1TSHRLMNASMN1; SMN2TDP1
SCHEMBL4612212 0.75 ALDH1A1 (0.51) ALDH1A1TSHRMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1419182-B1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORP (JP) 2008-10-15 EP disclosed
EP-1419182-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE Bridgestone Corporation (JP) 2004-05-19 EP disclosed
US-6610804-B2 An iron compound, an alpha-acylphosphonate diester, and an organoaluminum compound BRIDGESTONE CORPORATION (JP) 2003-08-26 US disclosed
US-6576725-B1 Iron compound, organomagnesium compound, and alpha-acylphosphonate diester; addition polymerization BRIDGESTONE CORPORATION (JP) 2003-06-10 US disclosed
US-20030073790-A1 Iron-based catalyst composition for the manufacture of syndiotactic 1, 2-polybutadiene BRIDGESTONE CORP. 2003-04-17 US disclosed
US-20030073570-A1 Method of preparing oligomers of conjugated dienes with an iron-based catalyst composition BRIDGESTONE CORP. 2003-04-17 US disclosed
WO-2003018644-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2003-03-06 WO disclosed