SCHEMBL11565697

SCHEMBL11565697

CC(C)C(C)C(C)C(=O)C(C)C(C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL79569 0.77 TP53 (0.35) SLC7A5TP53
SCHEMBL17627863 0.76 ALDH1A1 (0.32) SLC7A5TP53
SCHEMBL13635791 0.76 TP53 (0.44) SLC7A5TP53
SCHEMBL1572816 0.76 TP53 (0.44) SLC7A5TP53
SCHEMBL15834924 0.76 TP53 (0.44) SLC7A5TP53
SCHEMBL15834916 0.76 ALDH1A1 (0.32) SLC7A5TP53
Hydrogen Peroxide SCHEMBL8161423 0.74 TP53 (0.41) SLC7A5TP53
Methyl Alcohol SCHEMBL8058445 0.74 TP53 (0.33) SLC7A5TP53
SCHEMBL13200966 0.73 SLC7A5 (0.35) SLC7A5
SCHEMBL10489372 0.73 SLC7A5 (0.35) SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4164511-A Manufacture of N-arylglycinonitriles BASF AKTIENGESELLSCHAFT (DE) 1979-08-14 US disclosed