SCHEMBL4453919

SCHEMBL4453919

C=C(C)C(=O)OCCCCCC[CH]CC[N+](C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
APEX1 P27695 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRB P10828 1/20 0.40
CHRM5 P08912 4/20 0.40
CHRM1 P11229 4/20 0.40
CHRM3 P20309 4/20 0.40
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRM2 P08172 3/20 0.37
CHRM4 P08173 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTR1A P08908 2/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNA7 P36544 2/20 0.37
CHRNA4 P43681 2/20 0.37
PGR P06401 1/20 0.37
TBXA2R P21731 1/20 0.37

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
SCHEMBL5708424 1.00 TSHR (0.54) TSHRAPEX1POLBHTTTDP1
SCHEMBL16735437 0.98 TSHR (0.51) TSHRAPEX1POLBHTTTDP1
SCHEMBL16275001 0.94 TSHR (0.54) TSHRAPEX1POLBHTTTDP1
SCHEMBL2917316 0.94 TSHR (0.49) TSHRAPEX1POLBHTTTDP1
SCHEMBL5836895 0.89 TSHR (0.67) TSHRAPEX1POLBHTTTDP1
SCHEMBL9170446 0.89 TSHR (0.67) TSHRAPEX1POLBHTTTDP1
SCHEMBL8699776 0.89 TSHR (0.67) TSHRAPEX1POLBHTTTDP1
SCHEMBL2041591 0.86 TSHR (0.56) TSHRAPEX1POLBHTTTDP1
SCHEMBL16735442 0.84 TSHR (0.45) TSHRAPEX1POLBHTTTDP1
Hydrochloric Acid SCHEMBL23607552 0.84 TSHR (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377565-A1 POLYMERIC SUBSTRATE WITH A SURFACE HAVING REDUCED BIOMOLECULE ADHESION, AND THERMOPLASTIC ARTICLES OF SUCH SUBSTRATE SiO2 Medical Products, Inc. (US) 2018-09-26 EP disclosed
EP-2028208-A1 Phospholipid copolymers Tyco Healthcare Group LP (US) 2009-02-25 EP disclosed