SCHEMBL27995355

SCHEMBL27995355

CCC(C)CCC(NC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.37
FOLH1 Q04609 5/20 0.35
NAALAD2 Q9Y3Q0 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
ACE P12821 1/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL7394607 0.83 FOLH1 (0.42) FOLH1NAALAD2ALDH1A1MEN1LMNA
SCHEMBL24966082 0.83 FOLH1 (0.42) FOLH1NAALAD2ALDH1A1MEN1LMNA
SCHEMBL7394606 0.83 FOLH1 (0.42) FOLH1NAALAD2ALDH1A1MEN1LMNA
SCHEMBL29657364 0.80 ALDH1A1 (0.43) FOLH1NAALAD2ALDH1A1MEN1LMNA
SCHEMBL882883 0.80 ALDH1A1 (0.43) FOLH1NAALAD2ALDH1A1MEN1LMNA
SCHEMBL21635774 0.80 ALDH1A1 (0.43) FOLH1NAALAD2ALDH1A1MEN1LMNA
SCHEMBL160128 0.78
SCHEMBL28986122 0.78 ACE2 (0.38) ACE2ALDH1A1ACECHRM1AKR1A1
SCHEMBL5728555 0.78
SCHEMBL722207 0.78

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
CN-104244932-A Inhibitors of arginase and their therapeutic applications MARS INC 2014-12-24 CN disclosed