SCHEMBL18625971

SCHEMBL18625971

CCCCCCC(C)Cn1cc(CCCC)nn1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.51
L3MBTL1 Q9Y468 1/20 0.46
HRH4 Q9H3N8 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
GBA1 P04062 4/20 0.44
GGPS1 O95749 3/20 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
SCHEMBL18625970 0.87 CYP19A1 (0.41) CYP19A1GBA1GGPS1
SCHEMBL18625814 0.87 CYP19A1 (0.41) CYP19A1HRH4HRH3GBA1GGPS1
SCHEMBL10299506 0.85 CYP19A1 (0.54) CYP19A1L3MBTL1HRH4HRH3GBA1
SCHEMBL18625954 0.85 GBA1 (0.44) CYP19A1HRH4HRH3GBA1
SCHEMBL25110391 0.83 CYP19A1 (0.58) CYP19A1L3MBTL1HRH4HRH3GBA1
SCHEMBL19478927 0.83 CYP19A1 (0.58) CYP19A1L3MBTL1HRH4HRH3GBA1
SCHEMBL9926333 0.83 CYP19A1 (0.58) CYP19A1L3MBTL1HRH4HRH3GBA1
SCHEMBL12510480 0.83 GBA1 (0.51) CYP19A1L3MBTL1HRH4HRH3GBA1
SCHEMBL10081203 0.83 L3MBTL1 (0.51) CYP19A1L3MBTL1HRH4HRH3GBA1
SCHEMBL3560934 0.81 CYP19A1 (0.56) CYP19A1L3MBTL1HRH4HRH3GBA1

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
US-9593140-B2 Antibacterial tylosin derivatives and methods for their preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-03-14 US disclosed