SCHEMBL25890299

SCHEMBL25890299

CO/N=C(/c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 2/20 0.37
LPL P06858 7/20 0.37
LIPG Q9Y5X9 7/20 0.37
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CCR5 P51681 4/20 0.35
HIF1A Q16665 1/20 0.35
P4HB P07237 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
LMNA P02545 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
SCHEMBL25890252 0.75 RAB9A (0.56) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL25890258 0.75 RAB9A (0.56) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL25890294 0.75 RAB9A (0.43) CCR5NPC1CASP3RAB9ASENP8
SCHEMBL25890263 0.74 POLB (0.42) CCR5NPC1CASP3RAB9ASENP8
SCHEMBL5804116 0.71 LIPG (0.53) F11LPLLIPGCA1CA2
SCHEMBL25890281 0.71 CCR5 (0.45) CCR5NPC1CASP3RAB9ASENP8
SCHEMBL5804114 0.71 LIPG (0.53) F11LPLLIPGCA1CA2
SCHEMBL25890295 0.69 SLC6A3 (0.40) CCR5NPC1CASP3RAB9ASENP8
SCHEMBL25387236 0.68 PTPN1 (0.57) CA1CA2CA9NPC1RAB9A
SCHEMBL1962378 0.68 NPC1 (0.58) CA1CA2CA9NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3877372-B1 ENANTIOSELECTIVE REDUCTION OF OXIME-DERIVATIVES INVOLVING IRIDIUM BASED CATALYSTS SYNGENTA CROP PROTECTION AG (CH) 2023-08-02 EP disclosed