SCHEMBL6675294

SCHEMBL6675294

COC(=O)[C@H](CC(C)C)NC(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.49
NOS1 P29475 3/20 0.49
NOS2 P35228 3/20 0.49
TAS1R3 Q7RTX0 9/20 0.49
TAS1R1 Q7RTX1 9/20 0.49
BIRC2 Q13490 2/20 0.47
POLB P06746 1/20 0.47
FOLH1 Q04609 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL23051869 0.84 TAS1R3 (0.50) NOS3NOS1NOS2TAS1R3TAS1R1
SCHEMBL16540671 0.83 TDP1 (0.37) NOS3NOS1NOS2TAS1R3TAS1R1
SCHEMBL18358240 0.81 CA2 (0.40) NOS3NOS1NOS2BIRC2POLB
SCHEMBL23307951 0.81 MME (0.39) NOS3NOS1NOS2POLBSMN1; SMN2
SCHEMBL1535086 0.81 ALDH1A1 (0.60) FOLH1
SCHEMBL1535088 0.81 ALDH1A1 (0.60) FOLH1
SCHEMBL11652319 0.80 ALDH1A1 (0.40) NOS3NOS1NOS2FOLH1
SCHEMBL11647600 0.80 ALDH1A1 (0.40) NOS3NOS1NOS2FOLH1
SCHEMBL9626149 0.80 PDF (0.38) NOS3NOS1NOS2TAS1R3TAS1R1
SCHEMBL9626151 0.80 PDF (0.38) NOS3NOS1NOS2TAS1R3TAS1R1

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
EP-4545532-A1 ADDITIVES FOR IMPROVED C-H FLUORINATION REACTIONS Universität Regensburg (DE) 2025-04-30 EP disclosed
EP-1116715-B1 Tetramic acid derivatives useful in medicines and foodstuffs JUNG GUENTHER PROF DR (DE) 2004-10-06 EP disclosed
WO-2001051465-A1 TETRAMIC ACID DERIVATIVES FOR USE IN MEDICINE AND FOOD TECHNOLOGY STRACKE, FRIEDRICH (DE) 2001-07-19 WO disclosed
EP-1116715-A1 Tetramic acid derivatives useful in medicines and foodstuffs Jung, Günther, Prof. Dr. (DE) 2001-07-18 EP disclosed