SCHEMBL4610702

SCHEMBL4610702

Cc1ccccc1C(=O)P(=O)(OC1CCCC1)OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
HTT P42858 1/20 0.40
P2RX7 Q99572 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
CXCR5 P32302 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
SCHEMBL776414 0.98 NPC1 (0.52) NPC1RAB9ACHRM1DRD2MEN1
SCHEMBL4612329 0.97 NPC1 (0.47) NPC1RAB9ACHRM1DRD2MEN1
SCHEMBL10277587 0.82 NPC1 (0.45) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL4612397 0.79 MMP3 (0.44)
SCHEMBL4611295 0.78 LMNA (0.45) MEN1KMT2A
SCHEMBL777962 0.78 NPC1 (0.47) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL4612175 0.78 ELANE (0.42) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL779150 0.77 NPC1 (0.49) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL4610989 0.77 MMP3 (0.44) NPC1RAB9AMEN1KMT2A
SCHEMBL4611369 0.76 POLB (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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