SCHEMBL8274825

SCHEMBL8274825

O=C(NCc1ccc(-c2ccccc2O)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 13/20 0.52
▸ MTTP P55157 2/20 0.45
▸ MMP12 P39900 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ EPHX2 P34913 1/20 0.39

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
SCHEMBL8276794 0.86 ADAM17 (0.45) ADAM17MTTPEGFR
SCHEMBL8220615 0.84 ADAM17 (0.48) ADAM17MTTPEPHX2
SCHEMBL8222002 0.83 ADAM17 (0.54) ADAM17MTTP
SCHEMBL8273724 0.83 ADAM17 (0.49) ADAM17MTTP
SCHEMBL8275467 0.82 ADAM17 (0.38) ADAM17MMP12
SCHEMBL8223839 0.81 ADAM17 (0.51) ADAM17MTTP
SCHEMBL8215093 0.80 ADAM17 (0.48) ADAM17MTTP
SCHEMBL13542436 0.80 ADAM17 (0.46) ADAM17MTTP
SCHEMBL8223831 0.79 ADAM17 (0.48) ADAM17MTTP
SCHEMBL13542435 0.79 ADAM17 (0.51) ADAM17MTTP

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-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — WO disclosed
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