SCHEMBL7535185

SCHEMBL7535185

C=CC[CH]CCCCC(C=C)NC(N)=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL10417269 0.77 CTSK (0.40) ALDH1A1
Carbamic Acid SCHEMBL8213815 0.73 MAPT (0.42) DDAH1ALDH1A1
Carbamic Acid SCHEMBL8216451 0.73 MAPT (0.42) DDAH1ALDH1A1
SCHEMBL6278382 0.70 KDM4E (0.44) ALDH1A1
SCHEMBL6906222 0.70 TSHR (0.34) ALDH1A1
SCHEMBL21667349 0.68
SCHEMBL11632114 0.68
SCHEMBL6559575 0.65 PLA2G2C (0.42) DDAH1ALDH1A1
SCHEMBL4100772 0.63 LMNA (0.37) ALDH1A1
SCHEMBL10628467 0.62 TSHR (0.46) ALDH1A1

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-1153050-A4 AMINO-KETONE SOLID SUPPORT TEMPLATES ADVANCED SYNTECH LLC (US) 2002-11-27 EP claimed
EP-1153050-A1 AMINO-KETONE SOLID SUPPORT TEMPLATES Advanced syntech, LLC (US) 2001-11-14 EP claimed
US-6117940-A SOLID PHASE SYNTHESIS OF COMPOUNDS SUCH AS THE IMIDAZOLES, BENZODIAZEPINES, PYRAZINES, AND STEROID MIMICS. ADVANCED SYNTECH, LLC, A KENTUCKY LIMITED LIABILITY CORPORATION 2000-09-12 US claimed
WO-2000023487-A1 AMINO-KETONE SOLID SUPPORT TEMPLATES ADVANCED SYNTECH, LLC (US) 2000-04-27 WO claimed