SCHEMBL8044313

SCHEMBL8044313

COCCOc1cccc(/C=C/C(=O)C2CCC3(CC2)COc2ccc(CN)cc23)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.41
PRSS2 P07478 9/20 0.41
PRSS3 P35030 9/20 0.41
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLK1 P53350 1/20 0.36

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
SCHEMBL8042785 0.96 PRSS1 (0.41) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL8033906 0.92 APP (0.42) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2110631 0.87 PRSS1 (0.51) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2110635 0.87 PRSS1 (0.51) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109988 0.84 PRSS1 (0.49) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109993 0.84 PRSS1 (0.49) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109694 0.79 PRSS1 (0.47) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109697 0.79 PRSS1 (0.47) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL8046395 0.79 PRSS1 (0.46) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL2109791 0.79 PRSS1 (0.54) PRSS1PRSS2PRSS3MAOAMAOB

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-2009067202-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-28 WO disclosed