SCHEMBL4694182

SCHEMBL4694182

CSCC[C@H](Nc1ccc(F)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
MAPK1 P28482 1/20 0.47
CA2 P00918 4/20 0.46
CA1 P00915 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.45
PKM P14618 1/20 0.45
GAA P10253 1/20 0.45
PRNP P04156 1/20 0.44
TSHR P16473 1/20 0.44
MAPK10 P53779 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ATM Q13315 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
PGGT1B P53609 1/20 0.44
RAB9A P51151 1/20 0.43

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
SCHEMBL2327593 0.86 ALDH1A1 (0.50) MAPK1CA2CA1NPSR1ALDH1A1
SCHEMBL14850410 0.86 FOLH1 (0.44) HTTALDH1A1
SCHEMBL4740890 0.86 GAA (0.55) NPSR1ALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL3955074 0.86 GAA (0.55) NPSR1ALDH1A1SMN1; SMN2LMNAPKM
Fluoride SCHEMBL28465175 0.84 GAA (0.53) NPSR1ALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL17634328 0.84 LMNA (0.47) MAPK1CA2CA1NPSR1ALDH1A1
SCHEMBL18204163 0.84 CA1 (0.51) HTTMAPK1CA2CA1NPSR1
SCHEMBL16013365 0.82 ALDH1A1 (0.48) MAPK1CA2CA1NPSR1ALDH1A1
SCHEMBL19512080 0.81 MAPK1 (0.46) MAPK1NPSR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5497952 0.80 FOLH1 (0.59) GAA

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-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 EP disclosed