SCHEMBL24203140

SCHEMBL24203140

Oc1ccc(C2CCC(C3CCC(C4CC4)CC3)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 4/20 0.33
ALOX5AP P20292 3/20 0.33
NOTUM Q6P988 1/20 0.33
PRKCZ Q05513 1/20 0.32
WDR5 P61964 1/20 0.32
CYP19A1 P11511 2/20 0.31
STS P08842 1/20 0.31
NUDT1 P36639 1/20 0.30
BACE1 P56817 1/20 0.30
HSP90AA1 P07900 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 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
SCHEMBL29322497 0.94 FEN1 (0.37) FEN1ALOX5APNOTUMNUDT1BACE1
SCHEMBL25929340 0.94 FEN1 (0.35) FEN1ALOX5APNOTUMNUDT1BACE1
SCHEMBL25929120 0.94 FEN1 (0.37) FEN1ALOX5APNOTUMNUDT1BACE1
SCHEMBL25929172 0.94 FEN1 (0.35) FEN1ALOX5APNOTUMNUDT1BACE1
SCHEMBL12223404 0.94 FEN1 (0.36) FEN1ALOX5APNOTUMPRKCZWDR5
SCHEMBL19824228 0.93 FEN1 (0.37) FEN1ALOX5APNUDT1BACE1HSP90AA1
SCHEMBL12223851 0.93 FEN1 (0.36) FEN1ALOX5APNOTUMPRKCZCYP19A1
SCHEMBL29322529 0.91 ALOX5AP (0.30) FEN1ALOX5AP
SCHEMBL29322431 0.91 ALOX5AP (0.30) FEN1ALOX5AP
SCHEMBL13347751 0.91 FEN1 (0.33) FEN1ALOX5AP

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-3940040-A1 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2022-01-19 EP disclosed