SCHEMBL4612147

SCHEMBL4612147

O=CP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
SRC P12931 1/20 0.49
CETP P11597 3/20 0.45
IDO1 P14902 1/20 0.41
PDPK1 O15530 1/20 0.41
MTOR P42345 1/20 0.41
ALPG P10696 1/20 0.41
PTK2B Q14289 1/20 0.41
AGXT P21549 1/20 0.40
FOLH1 Q04609 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CA1 P00915 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
SCHEMBL9445911 0.82 TSHR (0.57) TSHRSRCCETPIDO1PDPK1
SCHEMBL1358566 0.80 TSHR (0.60) TSHRSRCCETPIDO1PDPK1
SCHEMBL206609 0.78 TSHR (0.68) TSHRSRCCETPIDO1PDPK1
SCHEMBL14439909 0.76 TSHR (0.55) TSHRSRCCETPIDO1PDPK1
SCHEMBL29156005 0.76 TSHR (0.55) TSHRSRCCETPFOLH1ALDH1A1
SCHEMBL13537697 0.76 TSHR (0.50) TSHRSRCCETPIDO1PDPK1
SCHEMBL3705675 0.76 TSHR (0.65) TSHRSRCCETPIDO1PDPK1
SCHEMBL11806385 0.75 TSHR (0.63) TSHRSRCCETPPDPK1MTOR
SCHEMBL21333944 0.74 TSHR (0.49) TSHRSRCCETPFOLH1
SCHEMBL79996 0.74 TSHR (0.63) TSHRSRCCETPIDO1PDPK1

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