SCHEMBL8741673

SCHEMBL8741673

[CH2][C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.47
PPARG P37231 3/20 0.46
PPARA Q07869 3/20 0.46
PPARD Q03181 2/20 0.45
ADORA1 P30542 1/20 0.44
ATM Q13315 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
DNMT1 P26358 1/20 0.42

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
SCHEMBL619354 0.84 PPARA (0.61) KIF11PPARGPPARAPPARDADORA1
SCHEMBL21084961 0.84 PPARA (0.61) KIF11PPARGPPARAPPARDADORA1
SCHEMBL1530926 0.84 PPARA (0.61) KIF11PPARGPPARAPPARDADORA1
SCHEMBL28628939 0.83 ADORA1 (0.51) KIF11PPARGPPARAPPARDADORA1
SCHEMBL28628937 0.83 ADORA1 (0.51) KIF11PPARGPPARAPPARDADORA1
SCHEMBL906631 0.82 CTSK (0.48) KIF11PPARGPPARAPPARDADORA1
SCHEMBL5276867 0.82 CTSK (0.48) KIF11PPARGPPARAPPARDADORA1
SCHEMBL30753855 0.82 PPARA (0.50) KIF11PPARGPPARAPPARDADORA1
Methylene Chloride SCHEMBL27661057 0.81 PPARA (0.58) KIF11PPARGPPARAPPARDADORA1
SCHEMBL15764473 0.80 ADORA1 (0.49) KIF11PPARGPPARAPPARDADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784473-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1997-12-17 EP disclosed
EP-0784473-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-23 EP disclosed
WO-1996009820-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 WO disclosed