SCHEMBL5780949

SCHEMBL5780949

CCCC(NC(=O)C(O)c1cccc(Oc2ccccc2)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.51
MME P08473 5/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ACE P12821 3/20 0.50
CPA1 P15085 3/20 0.50
ACE2 Q9BYF1 3/20 0.50
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 1/20 0.44
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
GLI1 P08151 1/20 0.43
GLI2 P10070 1/20 0.43
ALOX5 P09917 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
SCHEMBL3898655 0.85 MME (0.63) MMELMNAACECPA1ACE2
SCHEMBL3901340 0.85 MME (0.63) MMELMNAACECPA1ACE2
SCHEMBL3913656 0.85 MME (0.63) MMELMNAACECPA1ACE2
SCHEMBL3898657 0.85 MME (0.63) MMELMNAACECPA1ACE2
SCHEMBL3906073 0.85 MME (0.63) MMELMNAACECPA1ACE2
SCHEMBL3902883 0.79 MME (0.56) MMEALDH1A1LMNASMN1; SMN2ACE
SCHEMBL5494789 0.76 PTGS1 (0.68) PTGS1LMNAMEN1CYP2D6KMT2A
SCHEMBL10831605 0.76 PTGS1 (0.68) PTGS1LMNAMEN1CYP2D6KMT2A
SCHEMBL10831356 0.76 PTGS1 (0.68) PTGS1LMNAMEN1CYP2D6KMT2A
SCHEMBL14402624 0.75 PTGS1 (0.54) PTGS1ALDH1A1LMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636220-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-03-22 EP claimed
WO-2004099200-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-11-18 WO claimed
EP-1636220-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-03-22 EP disclosed
WO-2004099200-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-11-18 WO disclosed