SCHEMBL2863101

SCHEMBL2863101

C=C(C)C(=O)OP(=O)([O-])OCC(CC)[N+](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ADRA1D P25100 1/20 0.32
PTAFR P25105 1/20 0.32
HTR1D P28221 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1B P35368 1/20 0.32
DRD3 P35462 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL27991506 0.86 ADRA1D (0.31) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL28304732 0.85 ADRA1D (0.38) TSHRADRA1DPTAFRHTR1DHTR2C
SCHEMBL27744235 0.85 ADRA1D (0.33) TSHRADRA1DPTAFRHTR1DHTR2C
SCHEMBL27744293 0.83 ADRA1D (0.36) TSHRADRA1DPTAFRHTR1DHTR2C
SCHEMBL27751322 0.77 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL6028707 0.76 THRB (0.35) TSHRADRA1DPTAFRHTR1DHTR2C
SCHEMBL28588195 0.75 THRB (0.39) TSHR
SCHEMBL3524266 0.73 SMN1; SMN2 (0.48) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL9016225 0.71 ALDH1A1 (0.32) TSHR
SCHEMBL27765491 0.71 TSHR (0.32) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58154591-A None JP disclosed
US-7713538-B2 Drug delivery from stents ABBOTT LABORATORIES (US) 2010-05-11 US disclosed
CN-101466554-A Offset printing plate, offset printing plate material, support for offset printing plate and offset printing method KONICA MINOLTA MEDICAL PRINTIN (JP) 2009-06-24 CN disclosed
EP-1357955-B1 DRUG DELIVERY FROM STENTS ABBOTT LAB (US) 2005-11-16 EP disclosed
EP-1357956-B1 STENTS WITH DRUG-CONTAINING AMPHIPHILIC POLYMER COATING ABBOTT LAB (US) 2005-03-16 EP disclosed
JP-S58154591-A PREPARATION OF MONOMER ANALOGOUS TO PHOSPHOLIPID NAKAYA TADAO 1983-09-14 JP disclosed