SCHEMBL6623784

SCHEMBL6623784

CC(=O)C(C)Cc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.55
TDP1 Q9NUW8 2/20 0.51
MMP9 P14780 3/20 0.50
MMP8 P22894 2/20 0.49
MMP14 P50281 1/20 0.49
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ACP3 P15309 1/20 0.46
ANPEP P15144 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MMP2 P08253 1/20 0.45
MTNR1A P48039 1/20 0.45

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
SCHEMBL13879137 1.00 CTNNB1 (0.55) CTNNB1TDP1MMP9MMP8MMP14
SCHEMBL16743938 1.00 CTNNB1 (0.55) CTNNB1TDP1MMP9MMP8MMP14
SCHEMBL25846959 0.86 CTNNB1 (0.59) CTNNB1TDP1MMP9MMP8MMP14
SCHEMBL6907446 0.86 CTNNB1 (0.59) CTNNB1TDP1MMP9MMP8MMP14
SCHEMBL16017641 0.86 CTNNB1 (0.59) CTNNB1TDP1MMP9MMP8MMP14
SCHEMBL1284854 0.85 CTNNB1 (0.54) CTNNB1TDP1MMP9MMP8MMP14
SCHEMBL8874713 0.85 CTNNB1 (0.54) CTNNB1TDP1MMP9MMP8MMP14
SCHEMBL27457905 0.83 CTNNB1 (0.49) CTNNB1TDP1MMP9MMP8MMP14
SCHEMBL15314104 0.82 MMP9 (0.57) CTNNB1TDP1MMP9MMP8MMP14
SCHEMBL15314103 0.82 TDP1 (0.52) CTNNB1TDP1MMP9MMP8MMP14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474140-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2004-11-10 EP disclosed
WO-2003068226-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2003-08-21 WO disclosed