SCHEMBL21758845

SCHEMBL21758845

C#Cc1ccc(C(=C)CCC#N)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
MAOA P21397 5/20 0.31
MAOB P27338 5/20 0.31
GSK3B P49841 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
SCHEMBL21758757 0.85 GSK3B (0.43) GSK3B
SCHEMBL21758846 0.78 CYP19A1 (0.41) MAOAMAOB
SCHEMBL21758849 0.78 ALDH1A1 (0.37) GSK3B
SCHEMBL21758828 0.77 MAOA (0.44) MAOAMAOB
SCHEMBL21758833 0.74 ALDH1A1 (0.38)
SCHEMBL21758759 0.74 ALDH1A1 (0.37) MAOAMAOB
SCHEMBL21758843 0.70 MEN1 (0.30)
SCHEMBL8585794 0.68 ALDH1A1 (0.46) MAOAMAOBGSK3B
SCHEMBL23950227 0.66 HDAC8 (0.39) CTSLCTSBCTSSMAOAMAOB
SCHEMBL13784878 0.66 CA12 (0.40)

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
WO-2021221760-A2 EXPANDING THE CHEMICAL SUBSTRATES FOR GENETIC CODE REPROGRAMMING TO INCLUDE LONG CHAIN CARBON AND CYCLIC AMINO ACIDS NORTHWESTERN UNIVERSITY (US) 2021-11-04 WO disclosed
WO-2020040840-A2 EXPANDING THE CHEMICAL SUBSTRATES FOR GENETIC CODE REPROGRAMMING NORTHWESTERN UNIVERSITY (US) 2020-02-27 WO disclosed