SCHEMBL4611072

SCHEMBL4611072

CCCCC(CC)C(=O)P(=O)(Oc1cccc2ccccc12)Oc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
CNR2 P34972 4/20 0.42
CNR1 P21554 3/20 0.42
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR1B P28222 1/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL11691368 0.80 ALDH1A1 (0.48) TSHRCNR2CNR1KDM4EALDH1A1
SCHEMBL4611654 0.79 MAPK1 (0.46) TSHRCNR2ALDH1A1KMT2A
SCHEMBL4610235 0.77 ALDH1A1 (0.46) TSHRKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL4609705 0.76 TSHR (0.47) TSHRKDM4EALDH1A1HSD17B10HTR1B
SCHEMBL4612096 0.74 TSHR (0.48) TSHRKDM4EALDH1A1HSD17B10HTR1B
SCHEMBL4611553 0.72 ALDH1A1 (0.54) TSHRKDM4EALDH1A1HSD17B10HTR1B
SCHEMBL4609922 0.72 CETP (0.55) TSHRCNR2ALDH1A1KMT2AL3MBTL1
SCHEMBL4610964 0.72 ALDH1A1 (0.53) TSHRKDM4EALDH1A1HSD17B10HTR1B
SCHEMBL27478671 0.70 PPARG (0.51) TSHRCNR2CNR1KDM4EALDH1A1
SCHEMBL11447996 0.70 HTR1B (0.49) HTR1B

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