SCHEMBL5023145

SCHEMBL5023145

O=C(O)CC(O)(CC(=O)ONc1ccco1)C(=O)O.O=C1NCCCC1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
DDB1 Q16531 5/20 0.32
CRBN Q96SW2 5/20 0.32
TSHR P16473 2/20 0.32
GAA P10253 1/20 0.32
PKLR P30613 1/20 0.31
SLC13A5 Q86YT5 1/20 0.31
MEN1 O00255 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 1/20 0.30
CHRM2 P08172 1/20 0.30
OPRM1 P35372 1/20 0.30
IKZF3 Q9UKT9 1/20 0.30
CYP1A2 P05177 1/20 0.30
NPSR1 Q6W5P4 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
Citric Acid SCHEMBL5492575 0.84 TSHR (0.35) DDB1CRBNTSHRGAAPKLR
SCHEMBL845434 0.69 CRBN (0.57) DDB1CRBNTSHRTDP1ALDH1A1
Thalidomide SCHEMBL30511827 0.68 CRBN (0.67) DDB1CRBNTSHRTDP1ALDH1A1
SCHEMBL3125601 0.66 CRBN (0.55) DDB1CRBNTSHRTDP1ALDH1A1
SCHEMBL18263933 0.66 CRBN (0.55) DDB1CRBNTSHRTDP1ALDH1A1
SCHEMBL22845492 0.64 DDB1 (0.53) DDB1CRBN
SCHEMBL2065573 0.62 CRBN (0.65) DDB1CRBNTSHRTDP1ALDH1A1
SCHEMBL31013981 0.62 CRBN (0.65) DDB1CRBNTSHRTDP1ALDH1A1
SCHEMBL31013928 0.62 CRBN (0.65) DDB1CRBNTSHRTDP1ALDH1A1
SCHEMBL22845479 0.60 DDB1 (0.49) DDB1CRBNTSHRTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080226601-A1 Herpes Virus-Based Compositions and Methods of Use in the Prenatal and Perinatal Periods UNIVERSITY OF ROCHESTER (US) 2008-09-18 US disclosed
EP-1903873-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS THE UNIVERSITY OF ROCHESTER (US) 2008-04-02 EP disclosed
WO-2006135602-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS UNIVERSITY OF ROCHESTER (US) 2006-12-21 WO disclosed