SCHEMBL7773254

SCHEMBL7773254

O=C(CCCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCCCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TGM2 P21980 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL7775266 0.85 NPC1 (0.52) NPC1SIGMAR1POLB
SCHEMBL20257439 0.84 HTT (0.48) NPC1HTTTGM2SMN1; SMN2
SCHEMBL7775260 0.84 NPC1 (0.51) NPC1SIGMAR1POLB
SCHEMBL7773267 0.82 NPC1 (0.55) NPC1HTTALDH1A1SIGMAR1POLB
SCHEMBL13177104 0.81 HTT (0.49) NPC1HTTL3MBTL1TGM2SMN1; SMN2
SCHEMBL7769141 0.80 CYP2C19 (0.49) HTTTGM2ALDH1A1SMN1; SMN2
SCHEMBL7773263 0.80 NPC1 (0.56) NPC1L3MBTL1SIGMAR1POLB
SCHEMBL7776781 0.80 ALDH1A1 (0.48) NPC1L3MBTL1ALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL8861893 0.77 HTT (0.54) HTTTGM2ALDH1A1SMN1; SMN2POLB
SCHEMBL7773290 0.77 SIGMAR1 (0.49) L3MBTL1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517325-B1 Drug hapten analogues for immunoassays JOHNSON & JOHNSON CLIN DIAG (US) 2001-10-31 EP disclosed
EP-0517327-B1 Immunoassay with labeled hapten analogues JOHNSON & JOHNSON CLIN DIAG (US) 2001-08-16 EP disclosed
EP-0517326-B1 Labeled drug hapten analogues for immunoassays JOHNSON & JOHNSON CLIN DIAG (US) 2001-08-16 EP disclosed
US-5601994-A Immunoassay with novel labeled drug hapten analogues JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1997-02-11 US disclosed
US-5298403-A Having hydantoin or barbiturate nucleus EASTMAN KODAK COMPANY (US) 1994-03-29 US disclosed
US-5284948-A Drug hapten analogues for immunoassays EASTMAN KODAK COMPANY (US) 1994-02-08 US disclosed
EP-0517326-A2 Labeled drug hapten analogues for immunoassays Johnson & Johnson Clinical Diagnostics, Inc. (US) 1992-12-09 EP disclosed
EP-0517327-A2 Immunoassay with labeled hapten analogues Johnson & Johnson Clinical Diagnostics, Inc. (US) 1992-12-09 EP disclosed
EP-0517325-A2 Drug hapten analogues for immunoassays Johnson & Johnson Clinical Diagnostics, Inc. (US) 1992-12-09 EP disclosed