SCHEMBL8533766

SCHEMBL8533766

C=C(C#N)C(=O)OOC(C)CC

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL448845 0.81 TSHR (0.55) ALDH1A1TSHR
SCHEMBL28967081 0.78 ALDH1A1 (0.51) ALDH1A1TSHR
SCHEMBL27728308 0.77 TSHR (0.45) ALDH1A1TSHR
SCHEMBL28162516 0.76 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL22026512 0.76 TSHR (0.31) TSHR
SCHEMBL10010920 0.76 TDP1 (0.32) TSHR
SCHEMBL28717782 0.73 ALDH1A1 (0.64) ALDH1A1TSHR
SCHEMBL5889388 0.72 ALDH1A1 (0.57) ALDH1A1TSHR
SCHEMBL4581116 0.72 TSHR (0.52) ALDH1A1TSHR
SCHEMBL17350361 0.71 ALDH1A1 (0.40) ALDH1A1TSHR

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
US-5854219-A 9-N-ethenyl derivatives of 9(S)-erythromycylamine PLIVA, FARMACEUTSKA, KEMIJSKA, PREHRAMBENA I KOZMETICKA INDUSTRIJA, DIONICKO DRUSTVO (HR) 1998-12-29 US disclosed
EP-0838470-A1 9-N-ethenyl derivatives of 9(S)-erythromycylamine PLIVA farmaceutska, kemijska, prehrambena i kozmeticka industrija, dionicko drustvo (HR) 1998-04-29 EP disclosed