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
SCHEMBL3955074 0.86 GAA (0.55) NPSR1ALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL4740890 0.86 GAA (0.55) NPSR1ALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL14850410 0.86 FOLH1 (0.44) HTTALDH1A1
Fluoride SCHEMBL28465175 0.84 GAA (0.53) NPSR1ALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL18204163 0.84 CA1 (0.51) HTTMAPK1CA2CA1NPSR1
SCHEMBL17634328 0.84 LMNA (0.47) MAPK1CA2CA1NPSR1ALDH1A1
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
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