SCHEMBL2946928

SCHEMBL2946928

C=C(C)C(=O)OCCCCCCOP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FABP3 P05413 1/20 0.44
LMNA P02545 1/20 0.43
ESR1 P03372 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CDC25A P30304 1/20 0.43
AGTR1 P30556 1/20 0.43
AKT1 P31749 1/20 0.43
ADRA1A P35348 1/20 0.43
KCNH2 Q12809 1/20 0.43
CHRM5 P08912 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRM2 P08172 2/20 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
SCHEMBL2946708 0.99 TSHR (0.49) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28595957 0.91 TSHR (0.60) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16558586 0.90 THRB (0.45) TSHRAPEX1FABP3LMNAADRA1A
Hydrochloric Acid SCHEMBL16667567 0.90 THRB (0.45) TSHRAPEX1FABP3LMNAADRA1A
SCHEMBL180655 0.90 THRB (0.45) TSHRAPEX1FABP3LMNAADRA1A
SCHEMBL3447994 0.89 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL346466 0.89 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL16142 0.89 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3447377 0.89 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7073886 0.89 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1433488-B1 ARTIFICIAL JOINT MEMBER MADE OF POLYMERIC MATERIAL KOBE STEEL LTD (JP) 2010-11-03 EP disclosed
US-7785372-B2 Artificial joint member with grafted polymer surface KABUSHIKI KAISHA KOBE SEIKO SHO (JP) 2010-08-31 US disclosed
US-20090169455-A1 INK-JET RECORDING MATERIAL AGFA-GEVAERT, N.V. (BE) 2009-07-02 US disclosed
US-20040243249-A1 Artificial joint member made of polymeric material TAKATORI, YOSHIO (6.25%) (JP) 2004-12-02 US disclosed
EP-1433488-A1 ARTIFICIAL JOINT MEMBER MADE OF POLYMERIC MATERIAL KABUSHIKI KAISHA KOBE SEIKO SHO (JP) 2004-06-30 EP disclosed