SCHEMBL4612100

SCHEMBL4612100

O=C(C1CCCCC1)P1(=O)Oc2ccccc2O1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.39
CETP P11597 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CYP2C19 P33261 2/20 0.38
BCHE P06276 1/20 0.37
HTR2A P28223 1/20 0.37
LMNA P02545 1/20 0.37
P2RX7 Q99572 2/20 0.36
POLB P06746 2/20 0.36
ELANE P08246 1/20 0.36
KEAP1 Q14145 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4611357 0.69 CES2 (0.41) TSHRLMNA
SCHEMBL4609326 0.68 TSHR (0.41) TSHRLMNAPOLB
SCHEMBL4610214 0.68 SMN1; SMN2 (0.39) LMNASMN1; SMN2
SCHEMBL4609177 0.67 CES2 (0.38) TSHRPOLB
SCHEMBL9120553 0.66 HPGD (0.40) HPGDTSHRCYP2C19POLBNPC1
SCHEMBL4611017 0.66 TSHR (0.39) TSHRPOLB
Naphthalene SCHEMBL28687292 0.65 HPGD (0.50) HPGDCETPHDAC3HDAC1HDAC2
SCHEMBL4610262 0.64 CES2 (0.35) TSHR
SCHEMBL4609923 0.63 RECQL (0.37) TSHRPOLB
SCHEMBL4609957 0.63 CES1 (0.42) HPGDTSHRHDAC3HDAC1HDAC2

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