SCHEMBL22190086

SCHEMBL22190086

CCCCCC(N(C(N)=O)C(CCCCC)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
OPRM1 P35372 1/20 0.35
GPR84 Q9NQS5 5/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 1/20 0.34
FFAR1 O14842 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.34
PRSS1 P07477 1/20 0.34
CTSG P08311 1/20 0.34
CTRB1 P17538 1/20 0.34
CMA1 P23946 1/20 0.34
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
LAP3 P28838 2/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
MAPT P10636 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33

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
SCHEMBL22190101 0.95 CA2 (0.39) TP53CA1CA2SLC1A2SLC1A1
SCHEMBL22190083 0.88 ALOX15 (0.31)
SCHEMBL22190089 0.85 ZDHHC7 (0.39) TP53GPR84CA1CA2FFAR1
SCHEMBL2566448 0.80 ALOX15 (0.33)
SCHEMBL22190098 0.79 CA2 (0.40) CA1CA2ZDHHC7SLC1A2SLC1A1
SCHEMBL14151562 0.74 OPRM1 (0.38) TP53OPRM1
SCHEMBL28878272 0.73 EPHX2 (0.35) CA1CA2
SCHEMBL13729566 0.73 ALOX15 (0.33)
SCHEMBL22190090 0.72 CHRM1 (0.31) CA1CA2
SCHEMBL27984164 0.71 ZDHHC7 (0.39) TP53GPR84CA2FFAR1ZDHHC7

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