SCHEMBL8750837

SCHEMBL8750837

O=C(NCC(=O)N1CCC1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.60
ALDH1A1 P00352 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 1/20 0.51
OPRK1 P41145 1/20 0.51
HTT P42858 1/20 0.50
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
RAB9A P51151 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
NPC1 O15118 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL8253758 0.97 PREP (0.60) PREPALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL8249773 0.96 PREP (0.59) PREPALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL11263011 0.94 PREP (0.59) PREPALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL7159251 0.94 PREP (0.59) PREPALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL27795955 0.90 PREP (0.56) PREPALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL5873672 0.89 GAA (0.55) PREPALDH1A1LMNASMN1; SMN2GAA
SCHEMBL7509784 0.88 PREP (0.54) PREPALDH1A1LMNASMN1; SMN2GAA
SCHEMBL7683566 0.88 GAA (0.54) PREPALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL4075221 0.87 SIGMAR1 (0.57) PREPL3MBTL1HTTKMT2ASIGMAR1
SCHEMBL2586953 0.85 L3MBTL1 (0.61) PREPALDH1A1L3MBTL1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764151-A2 PURIFICATION OF SERINE PROTEASE AND SYNTHETIC INHIBITORS THEREOF UNIVERSITAIRE INSTELLING ANTWERPEN (BE) 1997-03-26 EP disclosed
WO-1995034538-A2 PURIFICATION OF SERINE PROTEASES AND SYNTHETIC INHIBITORS THEREOF UNIVERSITAIRE INSTELLING ANTWERPEN (BE) 1995-12-21 WO disclosed