SCHEMBL839117

SCHEMBL839117

CCOC(=O)[C@H](N)Cc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.44
TPH1 P17752 2/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.44
S1PR4 O95977 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
S1PR1 P21453 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MME P08473 2/20 0.42
ACE P12821 1/20 0.42
ACACB O00763 1/20 0.42
SLC7A5 Q01650 2/20 0.42
DPP4 P27487 1/20 0.41
FAP Q12884 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
HDAC1 Q13547 2/20 0.41

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
SCHEMBL839784 1.00 MMP8 (0.44) MMP8TPH1MAPK1MEN1S1PR4
SCHEMBL4881644 1.00 MMP8 (0.44) MMP8TPH1MAPK1MEN1S1PR4
Hydrochloric Acid SCHEMBL27136330 0.98 TPH1 (0.45) MMP8TPH1MAPK1MEN1S1PR4
Hydrochloric Acid SCHEMBL1681290 0.98 TPH1 (0.45) MMP8TPH1MAPK1MEN1S1PR4
SCHEMBL7960935 0.91 SLC7A5 (0.48) MMP8TPH1SLC7A5ALPIPKM
SCHEMBL9967935 0.86 SLC7A5 (0.44) MMP8TPH1MEN1LMNAMAPT
SCHEMBL20543461 0.86 SLC7A5 (0.44) MMP8TPH1MEN1LMNAMAPT
SCHEMBL21117856 0.86 SLC7A5 (0.44) MMP8TPH1MEN1LMNAMAPT
SCHEMBL14139328 0.86 SLC7A5 (0.44) MMP8TPH1MAPK1LMNAACACB
SCHEMBL2369810 0.85 HDAC1 (0.51) MEN1MAPTKMT2AACACBSLC7A5

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-8143052-B2 Process for preparing optically active (S or R)-α amino acid and (R or S)-α amino acid ester in one phase organic reaction medium UBE INDUSTRIES, LTD. (JP) 2012-03-27 US disclosed