SCHEMBL21758830

SCHEMBL21758830

C=Cc1ccccc1C(=C)CCC#N

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL23982058 0.76 MEN1 (0.41) ALDH1A1
SCHEMBL21758653 0.76 MAOA (0.49)
SCHEMBL13067921 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7574908 0.75 MEN1 (0.36) ALDH1A1
SCHEMBL9715778 0.73 LMNA (0.37) ALDH1A1
SCHEMBL22758504 0.73 ALDH1A1 (0.39) ALDH1A1
SCHEMBL536537 0.73 ALDH1A1 (0.39) ALDH1A1
SCHEMBL8195694 0.73 ALDH1A1 (0.43) ALDH1A1
SCHEMBL2874493 0.73 ALDH1A1 (0.39) ALDH1A1
SCHEMBL21758828 0.71 MAOA (0.44) 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 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