SCHEMBL7553242

SCHEMBL7553242

[CH2]CCCCCCC(=O)NCc1ccco1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.64
ALDH1A1 P00352 8/20 0.64
L3MBTL1 Q9Y468 4/20 0.64
POLB P06746 4/20 0.64
KDM4E B2RXH2 3/20 0.64
MAPT P10636 2/20 0.64
PTPN7 P35236 1/20 0.64
HSD17B10 Q99714 1/20 0.64
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP2C9 P11712 1/20 0.59
RAB9A P51151 1/20 0.59
EPHX2 P34913 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL19726938 0.89 HPGD (0.73) HPGDALDH1A1L3MBTL1POLBKDM4E
SCHEMBL21998742 0.87 HPGD (0.62) HPGDALDH1A1L3MBTL1POLBKDM4E
SCHEMBL21998666 0.87 HPGD (0.62) HPGDALDH1A1L3MBTL1POLBKDM4E
SCHEMBL4132255 0.87 HPGD (0.62) HPGDALDH1A1L3MBTL1POLBKDM4E
SCHEMBL2749570 0.85 HPGD (0.64) HPGDALDH1A1L3MBTL1POLBKDM4E
SCHEMBL28180601 0.84 HPGD (0.68) HPGDALDH1A1L3MBTL1POLBKDM4E
SCHEMBL9062544 0.83 HPGD (0.68) HPGDALDH1A1L3MBTL1POLBKDM4E
SCHEMBL19733742 0.82 HPGD (0.64) HPGDALDH1A1L3MBTL1POLBKDM4E
SCHEMBL21630176 0.81 HPGD (0.71) HPGDALDH1A1L3MBTL1POLBKDM4E
SCHEMBL5116644 0.81 HPGD (0.71) HPGDALDH1A1L3MBTL1POLBKDM4E

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-1219631-A1 ANTIANDROGEN AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-03 EP disclosed