SCHEMBL6260460

SCHEMBL6260460

COC(=O)C(C)(CCCNCCO)c1ccc(OCc2cc(C)nc3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 10/20 0.49
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
ADAMTS4 O75173 2/20 0.45
MMP3 P08254 2/20 0.45
MMP7 P09237 2/20 0.45
ADAMTS1 Q9UHI8 2/20 0.45
ADAMTS5 Q9UNA0 2/20 0.45
MMP8 P22894 1/20 0.45
MMP2 P08253 1/20 0.45
MMP12 P39900 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
SCHEMBL6265449 0.96 ADAM17 (0.49) ADAM17ADAMTS4MMP3MMP7ADAMTS1
SCHEMBL6265415 0.96 ADAM17 (0.49) ADAM17ADAMTS4MMP3MMP7ADAMTS1
SCHEMBL6261765 0.89 ADAM17 (0.47) ADAM17ADAMTS4MMP2
SCHEMBL6260459 0.88 ADAM17 (0.53) ADAM17ADAMTS4MMP3MMP7ADAMTS1
SCHEMBL6266539 0.86 ADAM17 (0.57) ADAM17MMP2MMP12
SCHEMBL6264308 0.79 ADAM17 (0.56) ADAM17MMP2MMP12
SCHEMBL6261752 0.75 ADAM17 (0.51) ADAM17MMP3MMP2MMP12
SCHEMBL6267486 0.73 ADAM17 (0.51) ADAM17ADAMTS4MMP2
SCHEMBL6212594 0.72 ADAM17 (0.63) ADAM17KDM4EMMP3MMP2MMP12
SCHEMBL5884640 0.72 ADAM17 (0.69) ADAM17ADAMTS4MMP3MMP7ADAMTS1

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-2005085232-A1 HYDANTOIN DERIVATIVES FOR USE AS TACE AND AGGRECANASE INHIBITORS ASTRAZENECA AB (SE) 2005-09-15 WO disclosed