SCHEMBL4609918

SCHEMBL4609918

CCC(=O)P(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
CETP P11597 3/20 0.55
ALDH1A1 P00352 3/20 0.47
FOLH1 Q04609 1/20 0.46
MAOB P27338 1/20 0.44
RAB9A P51151 4/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 3/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL4609952 0.86 CETP (0.56) TSHRCETPALDH1A1FOLH1MAOB
SCHEMBL4610334 0.81 TSHR (0.60) TSHRCETPALDH1A1FOLH1MAOB
SCHEMBL11331659 0.79 TSHR (0.53) TSHRCETPALDH1A1FOLH1RAB9A
SCHEMBL7520596 0.79 TSHR (0.67) TSHRCETPALDH1A1FOLH1RAB9A
SCHEMBL11333838 0.79 TSHR (0.56) TSHRCETPALDH1A1FOLH1MAOB
SCHEMBL11592226 0.78 TSHR (0.60) TSHRCETPALDH1A1FOLH1RAB9A
Propionic Acid SCHEMBL28574297 0.77 CETP (0.62) TSHRCETPALDH1A1FOLH1MAOB
SCHEMBL4610294 0.77 TSHR (0.55) TSHRCETPALDH1A1FOLH1MAOB
SCHEMBL4609348 0.77 TSHR (0.55) TSHRCETPALDH1A1FOLH1MAOB
SCHEMBL4609532 0.76 TSHR (0.58) TSHRCETPALDH1A1MAOBRAB9A

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