SCHEMBL19981430

SCHEMBL19981430

COc1cccc(-c2cccc(C(=O)NC3CCN(P(C)(=O)OC)CC3)c2)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HTR7 P34969 2/20 0.44
HTR1A P08908 1/20 0.44
ERN1 O75460 1/20 0.44
SSTR5 P35346 1/20 0.44
STIM1 Q13586 1/20 0.44
ORAI1 Q96D31 1/20 0.44
SLC6A12 P48065 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
MAPK10 P53779 1/20 0.43
DRD3 P35462 1/20 0.43
TLR9 Q9NR96 1/20 0.42
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
KAT6A Q92794 1/20 0.42
MCHR1 Q99705 2/20 0.42
RAB9A P51151 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
SCHEMBL14655016 0.91 USP2 (0.45) USP2POLBALDH1A1HTR7HTR1A
SCHEMBL15871574 0.90 USP2 (0.44) USP2POLBALDH1A1HTR7HTR1A
SCHEMBL21316779 0.89 USP2 (0.43) USP2POLBALDH1A1HTR7HTR1A
SCHEMBL16209774 0.89 HTR7 (0.47) USP2POLBALDH1A1HTR7HTR1A
SCHEMBL16222291 0.87 ROCK2 (0.52) USP2POLBALDH1A1HTR7HTR1A
SCHEMBL28475098 0.85 HTR7 (0.47) USP2POLBALDH1A1HTR7HTR1A
SCHEMBL21940903 0.84 TLR9 (0.57) USP2POLBALDH1A1HTR7HTR1A
SCHEMBL16219437 0.84 USP2 (0.47) USP2POLBALDH1A1HTR7HTR1A
SCHEMBL19981535 0.84 DRD2 (0.55) ALDH1A1HTR7HTR1ATSHRMCHR1
SCHEMBL409841 0.82 USP2 (0.42) USP2POLBALDH1A1HTR7HTR1A

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-2788487-B1 OLIGONUCLEOTIDE ANALOGUES TARGETING HUMAN LMNA SAREPTA THERAPEUTICS INC (US) 2018-04-04 EP disclosed
EP-2788488-B1 METHODS FOR TREATING PROGEROID LAMINOPATHIES USING OLIGONUCLEOTIDE ANALOGUES TARGETING HUMAN LMNA SAREPTA THERAPEUTICS INC (US) 2018-03-21 EP disclosed