SCHEMBL8346336

SCHEMBL8346336

CC(C)(C)C[C@](C(=O)O)(C(=O)[C@@H](N)CC(=O)O)N(C(=O)OCc1ccccc1)c1ccsc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.36
CHRM1 P11229 4/20 0.36
CHRM3 P20309 4/20 0.36
LTA4H P09960 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 1/20 0.32
SLC15A1 P46059 2/20 0.32
ABCB1 P08183 1/20 0.32
ADORA2B P29275 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CASP1 P29466 2/20 0.31

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
SCHEMBL7775661 0.85 LTA4H (0.33) CHRM2CHRM1CHRM3LTA4HSMN1; SMN2
SCHEMBL26330374 0.76 ALDH1A1 (0.44) CHRM2CHRM1CHRM3SMN1; SMN2KMT2A
SCHEMBL9301990 0.72 ABCB1 (0.40) LTA4HSMN1; SMN2KMT2ASLC15A1ABCB1
SCHEMBL10610709 0.71 LTA4H (0.38) LTA4HSMN1; SMN2KMT2ASLC15A1ABCB1
SCHEMBL11698202 0.67 LTA4H (0.40) LTA4HSMN1; SMN2KMT2ASLC15A1ABCB1
SCHEMBL7825113 0.67 CHRM2 (0.43) CHRM2CHRM1CHRM3KMT2ASLC15A1
SCHEMBL7826559 0.67 CHRM2 (0.43) CHRM2CHRM1CHRM3KMT2ASLC15A1
SCHEMBL7541791 0.67 L3MBTL1 (0.39) CHRM2CHRM1CHRM3LTA4HSMN1; SMN2
SCHEMBL7775655 0.66 LTA4H (0.33) LTA4HSMN1; SMN2SLC15A1ABCB1CTSL
SCHEMBL7827377 0.66 SMN1; SMN2 (0.38) CHRM2CHRM1CHRM3SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929253-A L-aspartyl-L-thienylalanine methyl ester, process for its preparation and use as sweetener PHARMACON FORSCHUNG UND BERATUNG GMBH (AT) 1999-07-27 US disclosed