SCHEMBL23960202

SCHEMBL23960202

Cc1cc(C(C)C)cc(F)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 2/20 0.41
POLB P06746 3/20 0.40
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
APP P05067 1/20 0.34
PTGS2 P35354 1/20 0.33
CYP1A2 P05177 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32

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
SCHEMBL1003199 0.87 POLB (0.46) POLBFABP3FABP4CYP1A2GABRA1
SCHEMBL1725337 0.78 DGAT1 (0.47) POLBPTGS2CYP1A2
SCHEMBL17831137 0.77 POLB (0.44) POLBCYP1A2
SCHEMBL18589768 0.77 ADRB2 (0.42) EIF4A3FABP3FABP4
SCHEMBL20173746 0.75 FABP3 (0.61) EIF4A3FABP3FABP4AKR1C3AKR1C2
SCHEMBL5952491 0.74 POLB (0.50) POLBAPPPTGS2CYP1A2PTGS1
SCHEMBL20429953 0.73 EIF4A3 (0.41) EIF4A3POLBFABP3FABP4AKR1C3
SCHEMBL14696545 0.73 POLB (0.41) POLBCYP1A2GABRA1GABRB2
SCHEMBL22945695 0.72 FABP3 (0.47) FABP3FABP4GABRA1GABRB2TRPA1
SCHEMBL22358741 0.71 FABP3 (0.52) EIF4A3FABP3FABP4AKR1C3AKR1C2

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
WO-2021216705-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-10-28 WO disclosed