SCHEMBL4609532

SCHEMBL4609532

O=C(c1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CETP P11597 3/20 0.49
SRD5A2 P31213 2/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
LMNA P02545 1/20 0.47
PIN1 Q13526 2/20 0.46
MAOB P27338 1/20 0.45
PDPK1 O15530 1/20 0.45
MTOR P42345 1/20 0.45
PARP10 Q53GL7 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL4609525 0.90 TSHR (0.51) TSHRKMT2ANPC1RAB9ACETP
SCHEMBL4611212 0.87 NPC1 (0.61) TSHRKMT2ATDP1NPC1RAB9A
SCHEMBL7520596 0.80 TSHR (0.67) TSHRSLC6A2SLC6A3KMT2ATDP1
SCHEMBL11592226 0.79 TSHR (0.60) TSHRSLC6A2SLC6A3KMT2ATDP1
SCHEMBL425583 0.79 NR1I2 (0.54) TSHRKMT2ANPC1LMNAALDH1A1
SCHEMBL4610334 0.79 TSHR (0.60) TSHRSLC6A2SLC6A3KMT2ATDP1
SCHEMBL4609527 0.78 SMN1; SMN2 (0.50) TSHRKMT2ANPC1RAB9ACETP
SCHEMBL206610 0.78 TSHR (0.76) TSHRNPC1RAB9ACETPNR4A1
SCHEMBL4609918 0.76 TSHR (0.56) TSHRSLC6A2SLC6A3KMT2ATDP1
SCHEMBL11333838 0.76 TSHR (0.56) TSHRNPC1RAB9ACETPLMNA

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