SCHEMBL22190098

SCHEMBL22190098

CCCCC(N(C(N)=O)C(CCCC)[Si](OC)(OC)OC)[Si](OC)(OC)OC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.40
CA1 P00915 4/20 0.40
MAPK1 P28482 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
METAP1 P53582 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
SLC15A1 P46059 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FDPS P14324 1/20 0.31

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
SCHEMBL22190089 0.95 ZDHHC7 (0.39) CA2CA1SLC1A2SLC1A1ZDHHC7
SCHEMBL22190090 0.89 CHRM1 (0.31) CA2CA1CYP3A4TSHRTDP1
SCHEMBL22190101 0.84 CA2 (0.39) CA2CA1MAPK1SLC1A3SLC1A2
SCHEMBL768197 0.81 ALOX15 (0.30)
SCHEMBL22190086 0.79 TP53 (0.37) CA2CA1SLC1A2SLC1A1ZDHHC7
SCHEMBL16862751 0.74
SCHEMBL22190083 0.73 ALOX15 (0.31) TDP1
Tromethamine SCHEMBL20981402 0.71 MEN1 (0.32)
SCHEMBL11498557 0.71 CA2 (0.47) CA2CA1MAPK1SLC1A3SLC1A2
SCHEMBL13729676 0.69 ALOX5 (0.33)

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
US-11629235-B2 Urea-functionalized sol-gel KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2023-04-18 US claimed
US-20200216620-A1 UREA-FUNCTIONALIZED SOL-GEL KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2020-07-09 US claimed
US-11629235-B2 Urea-functionalized sol-gel KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2023-04-18 US disclosed
US-20200216620-A1 UREA-FUNCTIONALIZED SOL-GEL KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2020-07-09 US disclosed