SCHEMBL9685476

SCHEMBL9685476

CCN(O)C(O)C(=O)O.[Na]

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
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
GPR84 Q9NQS5 3/20 0.32
FFAR1 O14842 1/20 0.32
OR51E2 Q9H255 1/20 0.31
FFAR3 O14843 1/20 0.30
TSHR P16473 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
SCHEMBL453464 0.97
SCHEMBL4913156 0.97
Citric Acid SCHEMBL8772058 0.79 ALDH1A1 (0.52) TP53CHRM1ADRA1ATDP1TSHR
SCHEMBL452903 0.78 HDAC1 (0.37) TP53CHRM1AKR1A1CHRM3HTR2A
SCHEMBL456030 0.75 GPR84 (0.42) GPR84FFAR1
SCHEMBL8751245 0.74 FDPS (0.39) TP53CHRM1AKR1A1CHRM3HTR2A
SCHEMBL9685471 0.73 NFKB1 (0.39) HDAC1HDAC2FFAR3TSHR
SCHEMBL10799058 0.72
SCHEMBL5350948 0.72
SCHEMBL9791190 0.72 GPR84 (0.48) TDP1GPR84FFAR1OR51E2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5174870-A Immersing metal into aqueous bath containing alkali metal salts of dialkylnaphthalenesulfonic acid, nitrilotriacetic acid or ethylenediaminetetraacetic acid, diethanolglycine PCT TECHNOLOGY, INC. (US) 1992-12-29 US disclosed
US-4868213-A Disinfectant and cleansing compositions FHJ AMINO ACID FORMULA TRUST (US) 1989-09-19 US disclosed
US-4868213-A Disinfectant and cleansing compositions FHJ AMINO ACID FORMULA TRUST (US) 1989-09-19 US disclosed
US-4767786-A Disinfectant and cleansing composition FHJ AMINO ACID FORMULA TRUST (US) 1988-08-30 US disclosed
US-4767786-A Disinfectant and cleansing composition FHJ AMINO ACID FORMULA TRUST (US) 1988-08-30 US disclosed
EP-0239215-A1 Treatment of grafted protein latices GENCORP INC. (US) 1987-09-30 EP disclosed