SCHEMBL25929172

SCHEMBL25929172

Oc1ccc(C2CCC(C3CCCC3)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 4/20 0.35
NUDT1 P36639 1/20 0.34
BACE1 P56817 1/20 0.34
HSP90AA1 P07900 1/20 0.34
ALOX5AP P20292 3/20 0.34
DRD1 P21728 3/20 0.32
ALOX5 P09917 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
OPRL1 P41146 2/20 0.31
NOTUM Q6P988 1/20 0.31
ACMSD Q8TDX5 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
SCHEMBL25929340 1.00 FEN1 (0.35) FEN1NUDT1BACE1HSP90AA1ALOX5AP
SCHEMBL19824228 0.98 FEN1 (0.37) FEN1NUDT1BACE1HSP90AA1ALOX5AP
SCHEMBL29322497 0.96 FEN1 (0.37) FEN1NUDT1BACE1HSP90AA1ALOX5AP
SCHEMBL25929120 0.96 FEN1 (0.37) FEN1NUDT1BACE1HSP90AA1ALOX5AP
SCHEMBL24203140 0.94 FEN1 (0.33) FEN1NUDT1BACE1HSP90AA1ALOX5AP
SCHEMBL28204231 0.89 NUDT1 (0.41) FEN1NUDT1BACE1HSP90AA1ALOX5AP
SCHEMBL12223404 0.89 FEN1 (0.36) FEN1NUDT1BACE1HSP90AA1ALOX5AP
SCHEMBL12223851 0.88 FEN1 (0.36) FEN1ALOX5APNOTUM
SCHEMBL29322541 0.88 DRD1 (0.35) NUDT1BACE1DRD1ALOX5OPRL1
SCHEMBL19824573 0.87 NUDT1 (0.44) FEN1NUDT1BACE1HSP90AA1ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400561-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2024-07-17 EP disclosed
EP-4056667-B1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-02 EP disclosed