SCHEMBL7478535

SCHEMBL7478535

CCCCS(=O)(=O)N[C@@H](Cc1ccc2c(c1)NC(=O)C(CC(=O)Nc1ncc[nH]1)O2)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
HSD17B10 Q99714 4/20 0.39
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.37
MAPT P10636 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL7472452 0.91 THRB (0.39) THRBHSD17B10MAPK1ALOX15HTT
SCHEMBL7159785 0.91 ITGB3 (0.42) THRBHSD17B10MAPK1ALOX15HTT
SCHEMBL7369546 0.89 THRB (0.39) THRBHSD17B10MAPK1ALOX15HTT
SCHEMBL7371562 0.89 THRB (0.39) THRBHSD17B10MAPK1ALOX15HTT
SCHEMBL7365336 0.87 TSHR (0.43) THRBHSD17B10MAPK1ALOX15HTT
SCHEMBL7366599 0.87 ITGB3 (0.41) THRBHSD17B10MAPK1ALOX15HTT
SCHEMBL4685454 0.86 ITGB3 (0.36) THRBHSD17B10ALOX15L3MBTL1TSHR
SCHEMBL7368383 0.86 GAA (0.37) THRBHSD17B10MAPK1ALOX15HTT
SCHEMBL7468966 0.85 BDKRB1 (0.39) THRBHSD17B10MAPK1HTTTSHR
SCHEMBL7165010 0.84 ITGB3 (0.41) THRBHSD17B10MAPK1ALOX15HTT

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
EP-0964856-B1 BICYCLIC AMINO ACIDS MERCK PATENT GMBH (DE) 2002-10-09 EP disclosed