SCHEMBL7401203

SCHEMBL7401203

CCC(C(=O)OCC(C)C)N(C(C)=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RORC P51449 1/20 0.40
ALOX15 P16050 1/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
ATM Q13315 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
CETP P11597 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7573703 0.85 LTB4R2 (0.44) NPSR1ALOX15HTTHPGDTAS1R3
SCHEMBL7879014 0.85 ALDH1A1 (0.38) NPSR1ALOX15HTTHPGDGAA
SCHEMBL6136371 0.83 MEN1 (0.43) NPSR1RORCHTTHPGDSMN1; SMN2
SCHEMBL7869511 0.82 TSHR (0.38) SMN1; SMN2MAPTALDH1A1POLBMAPK1
SCHEMBL5897694 0.81 MTNR1A (0.44) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL7237747 0.77 GAA (0.37) CACNA1FCACNA1DCACNA1SCACNA1CHPGD
SCHEMBL7404622 0.76 TSHR (0.39) NPSR1HTTHPGDGAASMN1; SMN2
SCHEMBL7237657 0.74 MEN1 (0.37) NPSR1HTTHPGDGAASMN1; SMN2
SCHEMBL6448597 0.74 SLC6A2 (0.40) CACNA1FCACNA1DCACNA1SCACNA1CNPSR1
SCHEMBL7404914 0.73 CYP3A4 (0.42) HTTHPGDTAS1R3TAS1R1ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP disclosed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed