SCHEMBL4609807

SCHEMBL4609807

Cc1ccc(C(=O)P(=O)(Oc2cccc3ccccc23)Oc2cccc3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 2/20 0.43
PGR P06401 1/20 0.43
PTGS1 P23219 1/20 0.43
MAPK1 P28482 1/20 0.43
SCN2A Q99250 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4A O75164 1/20 0.43
KMT2A Q03164 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL4610968 0.88 ALDH1A1 (0.49) RAB9ANPC1ALDH1A1HSD17B10GAA
SCHEMBL4611476 0.86 NPC1 (0.54) RAB9ANPC1ALDH1A1KMT2AESR1
SCHEMBL10277660 0.81 LMNA (0.56) RAB9ANPC1ALDH1A1GAAMAPK1
SCHEMBL4609809 0.80 KMT2A (0.45) RAB9ANPC1ALDH1A1HSD17B10GAA
SCHEMBL4609824 0.79 KMT2A (0.49) RAB9AALDH1A1HSD17B10GAAPGR
SCHEMBL4611553 0.79 ALDH1A1 (0.54) RAB9AALDH1A1HSD17B10GAAPGR
SCHEMBL28044161 0.76 ESR1 (0.70) RAB9AALDH1A1HSD17B10GAAPGR
SCHEMBL777534 0.75 MEN1 (0.50) RAB9ANPC1ALDH1A1GAAMEN1
SCHEMBL4610235 0.75 ALDH1A1 (0.46) RAB9AALDH1A1HSD17B10GAAPGR
SCHEMBL4612096 0.75 TSHR (0.48) RAB9AALDH1A1HSD17B10GAAPGR

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