SCHEMBL4609601

SCHEMBL4609601

Cc1ccccc1C(=O)P(=O)(OCC(C)C)OCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
CYP3A4 P08684 1/20 0.41
F2R P25116 1/20 0.41
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL779439 0.82 KMT2A (0.58) ALDH1A1TSHRKMT2AMAPTLMNA
SCHEMBL4610988 0.81 PLK1 (0.46) ALDH1A1TSHRKMT2AMAPTLMNA
SCHEMBL776757 0.79 KMT2A (0.49) ALDH1A1TSHRKMT2AMAPTLMNA
SCHEMBL4612366 0.79 CYP3A4 (0.44) ALDH1A1TSHRKMT2AMAPTLMNA
SCHEMBL4609434 0.78 ALDH1A1 (0.56) ALDH1A1TSHRKMT2AMAPTLMNA
SCHEMBL4609527 0.78 SMN1; SMN2 (0.50) ALDH1A1TSHRKMT2AMAPTLMNA
SCHEMBL4611005 0.78 KMT2A (0.42) ALDH1A1KMT2AMAPTLMNAHTT
SCHEMBL4610958 0.77 KMT2A (0.48) ALDH1A1KMT2AMAPTLMNAHTT
SCHEMBL4609994 0.77 KMT2A (0.41) ALDH1A1KMT2AMAPTLMNAHTT
SCHEMBL777395 0.77 TSHR (0.49) ALDH1A1TSHRKMT2AMAPTLMNA

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-20030073570-A1 Method of preparing oligomers of conjugated dienes with an iron-based catalyst composition BRIDGESTONE CORP. 2003-04-17 US disclosed
US-20030073790-A1 Iron-based catalyst composition for the manufacture of syndiotactic 1, 2-polybutadiene 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