SCHEMBL8439121

SCHEMBL8439121

COc1ccc(COC(=O)NCCBr)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
KMT2A Q03164 4/20 0.58
GLA P06280 1/20 0.58
MAPT P10636 2/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MIF P14174 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.48
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL11526146 0.86 ALDH1A1 (0.60) ALDH1A1KMT2AGLAMAPTATM
SCHEMBL6750273 0.85 ALDH1A1 (0.58) ALDH1A1KMT2AGLAMAPTATM
SCHEMBL9828159 0.84 HTT (0.58) ALDH1A1KMT2AGLAMAPTATM
SCHEMBL11264154 0.81 ALDH1A1 (0.61) ALDH1A1KMT2AGLAMAPTATM
SCHEMBL7009466 0.81 HTT (0.72) ALDH1A1KMT2AGLAMAPTATM
SCHEMBL10924887 0.81 GLA (0.70) ALDH1A1KMT2AGLASMN1; SMN2LMNA
SCHEMBL8737718 0.81 NPC1 (0.72) KMT2AGLAMAPTATML3MBTL1
SCHEMBL176927 0.81 LMNA (0.71) ALDH1A1KMT2AMAPTL3MBTL1SMN1; SMN2
SCHEMBL21566813 0.80 ALDH1A1 (0.53) ALDH1A1KMT2AGLAMAPTATM
SCHEMBL10924997 0.80 KMT2A (0.68) ALDH1A1KMT2AGLASMN1; SMN2GAA

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-0552368-A1 PROCESS FOR PURIFYING SYNTHETIC PEPTIDE, AND LINKER AND LINKER-COMBINING SOLID-PHASE CARRIER USED IN SAID PROCESS NIHON MILLIPORE KABUSHIKI KAISHA (JP) 1993-07-28 EP claimed
US-5994588-A PROTECTED (AMINOALKYLSULFONYL)ETHYL CARBONATES CONTAINING SULFIDE GROUPS Funakoshi, Setsuko (JP) 1999-11-30 US disclosed
US-5648462-A Peptide purification method using novel linker and solid-phase ligand SETSUKO FUNAKOSHI (JP) 1997-07-15 US disclosed
EP-0552368-A1 PROCESS FOR PURIFYING SYNTHETIC PEPTIDE, AND LINKER AND LINKER-COMBINING SOLID-PHASE CARRIER USED IN SAID PROCESS NIHON MILLIPORE KABUSHIKI KAISHA (JP) 1993-07-28 EP disclosed