SCHEMBL2946708

SCHEMBL2946708

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
CHRM5 P08912 3/20 0.42
CHRM1 P11229 3/20 0.42
CHRM3 P20309 3/20 0.42
FABP3 P05413 1/20 0.42
APEX1 P27695 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADRA1A P35348 2/20 0.41
LMNA P02545 2/20 0.41
ESR1 P03372 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CDC25A P30304 1/20 0.41
AGTR1 P30556 1/20 0.41
AKT1 P31749 1/20 0.41
KCNH2 Q12809 1/20 0.41
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL2946928 0.99 TSHR (0.51) TSHRCHRM5CHRM1CHRM3FABP3
Hydrochloric Acid SCHEMBL16667567 0.91 THRB (0.45) TSHRCHRM5CHRM1CHRM3FABP3
SCHEMBL16558586 0.91 THRB (0.45) TSHRCHRM5CHRM1CHRM3FABP3
SCHEMBL180655 0.91 THRB (0.45) TSHRCHRM5CHRM1CHRM3FABP3
SCHEMBL28595957 0.90 TSHR (0.60) TSHRFABP3APEX1POLBHTT
SCHEMBL345781 0.89 TSHR (0.59) TSHRAPEX1POLBHTTTDP1
SCHEMBL28329138 0.89 TSHR (0.51) TSHRCHRM5CHRM1CHRM3FABP3
SCHEMBL346466 0.88 TSHR (0.62) TSHRAPEX1POLBHTTTDP1
SCHEMBL3447994 0.88 TSHR (0.62) TSHRAPEX1POLBHTTTDP1
SCHEMBL16142 0.88 TSHR (0.62) TSHRAPEX1POLBHTTTDP1

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 4 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-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