SCHEMBL21363136

SCHEMBL21363136

CC(N)(C#N)CCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
THRB P10828 1/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.39
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
ESR2 Q92731 1/20 0.36
CHEK1 O14757 1/20 0.34
FYN P06241 1/20 0.34
PDGFRB P09619 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
GRK5 P34947 1/20 0.34
MAP2K2 P36507 1/20 0.34
MAPK8 P45983 1/20 0.34
CDK8 P49336 1/20 0.34
RPS6KA3 P51812 1/20 0.34

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
SCHEMBL27852570 0.80 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL15035982 0.78 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL20156827 0.78
SCHEMBL10783639 0.77 NAALAD2 (0.42) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL15504 0.77 NAALAD2 (0.42) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL2696260 0.77
SCHEMBL27673 0.77 NAALAD2 (0.38) ALDH1A1MEN1KMT2ACYP1A2THRB
Hydrogen Peroxide SCHEMBL5680213 0.77 NAALAD2 (0.38) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL786277 0.77 NAALAD2 (0.38) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL27672 0.77 NAALAD2 (0.38) ALDH1A1MEN1KMT2ACYP1A2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022021499-A1 ACTIVE FREE RADICAL POLYMERIZATION METHOD WITH ZINC PHTHALOCYANINE DYE AS NEAR-INFRARED LIGHT CATALYST 苏州大学 2022-02-03 WO disclosed
EP-3885444-A1 A METHOD AND DEVICE FOR ENRICHING AND DETECTING MICROORGANISMS IN A BIOLOGICAL SAMPLE Micronbrane Medical Co., Ltd. (TW) 2021-09-29 EP disclosed
WO-2021015526-A1 METHOD FOR PREPARING GRAFT COPOLYMER 주식회사 엘지화학 2021-01-28 WO disclosed
EP-3539581-A1 POLYMER AND DEVICE FOR CAPTURING OR SEPARATING LEUCOCYTES, MANUFACTURING METHOD AND USE THEREOF Puriblood Medical Co., Ltd. (TW) 2019-09-18 EP disclosed