SCHEMBL28588595

SCHEMBL28588595

CC(NC(C(=O)O)C(=O)O)C(=O)O.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.34
MME P08473 2/20 0.34
RAB9A P51151 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
SLC7A5 Q01650 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADAMTS4 O75173 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.30
FOLH1 Q04609 1/20 0.30
NAALAD2 Q9Y3Q0 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
SCHEMBL29143263 1.00 TP53 (0.40) TP53ALDH1A1MMERAB9AACE
SCHEMBL28345778 1.00 TP53 (0.40) TP53ALDH1A1MMERAB9AACE
SCHEMBL28335091 1.00 TP53 (0.40) TP53ALDH1A1MMERAB9AACE
SCHEMBL3978172 0.97 TP53 (0.42) TP53ALDH1A1MMERAB9AACE
SCHEMBL3978169 0.97 TP53 (0.42) TP53ALDH1A1MMERAB9AACE
SCHEMBL23611031 0.94 TP53 (0.40) TP53ALDH1A1MMERAB9AACE
SCHEMBL29478439 0.94 TP53 (0.40) TP53ALDH1A1MMERAB9AACE
Lactic Acid SCHEMBL31468110 0.87 TP53 (0.55) TP53ALDH1A1MMERAB9AACE
SCHEMBL4572684 0.84 TP53 (0.47) TP53MMERAB9AACECPA1
SCHEMBL2807366 0.84 TP53 (0.47) TP53MMERAB9AACECPA1

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-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed