SCHEMBL25516533

SCHEMBL25516533

CC/C=C\CCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CHRM2 P08172 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL4581242 0.92 TDP1 (0.59) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL28449486 0.92 TDP1 (0.59) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL28985362 0.90 MGLL (0.55) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL8008707 0.89 MGLL (0.62) TDP1L3MBTL1
SCHEMBL8008712 0.89 MGLL (0.62) TDP1L3MBTL1
SCHEMBL21457937 0.88 GLS (0.50) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL21457938 0.88 GLS (0.50) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL12664538 0.86 MGLL (0.61) TDP1L3MBTL1
SCHEMBL30958386 0.86 MGLL (0.61) TDP1L3MBTL1
SCHEMBL16882232 0.85 TDP1 (0.53) TDP1L3MBTL1CHRM2MEN1CYP1A2

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-3313816-B1 METABOLICALLY ROBUST ANALOGS OF CYP-EICOSANOIDS FOR THE TREATMENT OF CARDIAC DISEASE OMEICOS THERAPEUTICS GMBH (DE) 2023-05-24 EP disclosed