SCHEMBL7704580

SCHEMBL7704580

CCc1cc2ccccc2n1-c1ccc(NCc2ccc(OCCCC#N)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.41
GAA P10253 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
APP P05067 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
SNCA P37840 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
VCP P55072 1/20 0.39
CACNA1H O95180 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP19A1 P11511 1/20 0.38
LTA4H P09960 2/20 0.38

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
SCHEMBL6992299 0.87 CACNA1B (0.42) CACNA1BGAAKDM4EMEN1ALDH1A1
SCHEMBL7707552 0.75 LTB4R (0.31) CACNA1BL3MBTL1
SCHEMBL7243695 0.73 EPHX2 (0.51) CACNA1BALDH1A1MAPK1L3MBTL1CYP19A1
SCHEMBL6986838 0.70 CNR2 (0.45) KDM4EMEN1ALDH1A1MAPTALOX15
SCHEMBL7236890 0.69 CACNA1B (0.39) CACNA1BGAAMEN1ALDH1A1MAPT
SCHEMBL7630588 0.69 TSHR (0.42) CACNA1BGAAKDM4EMEN1ALDH1A1
SCHEMBL6989533 0.69 PDE9A (0.42) CACNA1BGAAMEN1ALDH1A1KMT2A
SCHEMBL92863 0.68 CYP19A1 (0.43) GAAMEN1ALDH1A1MAPK1KMT2A
SCHEMBL14021628 0.68 GAA (0.45) GAA
SCHEMBL769069 0.66 MAPT (0.59) GAAKDM4EMEN1ALDH1A1APP

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-6353007-B1 ANTIINFLAMMATORY AGENTS AND INHIBITORS OF CELLULAR POLIFERATION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-05 US disclosed