SCHEMBL4611039

SCHEMBL4611039

CCCCC(CC)COP(=O)(OCC(CC)CCCC)C(=O)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.51
ALDH1A1 P00352 4/20 0.51
CA2 P00918 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 3/20 0.47
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
MAPK1 P28482 2/20 0.45
TSHR P16473 3/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
FAAH O00519 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ZDHHC2 Q9UIJ5 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
SCHEMBL4610603 0.82 ALDH1A1 (0.53) CYP3A4ALDH1A1CA2L3MBTL1LMNA
SCHEMBL4610697 0.79 FAAH (0.47) TSHRFAAH
SCHEMBL1982751 0.79 CYP3A4 (0.53) CYP3A4ALDH1A1CA2L3MBTL1LMNA
SCHEMBL11177661 0.79 ALDH1A1 (0.63) CYP3A4ALDH1A1CA2L3MBTL1LMNA
SCHEMBL124717 0.79 CYP3A4 (0.64) CYP3A4ALDH1A1CA2L3MBTL1LMNA
Octicizer SCHEMBL18301200 0.79 L3MBTL1 (0.64) CYP3A4ALDH1A1CA2L3MBTL1LMNA
Octicizer SCHEMBL93483 0.79 L3MBTL1 (0.64) CYP3A4ALDH1A1CA2L3MBTL1LMNA
Octicizer SCHEMBL27982284 0.78 CYP3A4 (0.59) CYP3A4ALDH1A1CA2L3MBTL1LMNA
SCHEMBL4612087 0.78 CYP3A4 (0.42) CYP3A4ALDH1A1L3MBTL1LMNATSHR
SCHEMBL28112650 0.77 CYP3A4 (0.62) CYP3A4ALDH1A1CA2L3MBTL1LMNA

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