SCHEMBL8105173

SCHEMBL8105173

CCCC[C@H]1CN(C(=O)OC(C)(C)C)CC(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.39
▸ GRM2 Q14416 4/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ PPARG P37231 2/20 0.38
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ PRKCA P17252 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ ATM Q13315 2/20 0.35

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
SCHEMBL16646516 0.85 PDK1 (0.40) NR1H2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL9058440 0.75 NR1H2 (0.38) NR1H2USP2SMN1; SMN2MAPTNAMPT
SCHEMBL16633633 0.74 PTPN1 (0.44) SMN1; SMN2KDM4ETHRBNAMPT
SCHEMBL16633630 0.74 PTPN1 (0.44) SMN1; SMN2KDM4ETHRBNAMPT
SCHEMBL15297794 0.74 NR1H2 (0.54) NR1H2USP2SMN1; SMN2MAPTNAMPT
SCHEMBL9183603 0.74 NR1H2 (0.42) NR1H2USP2SMN1; SMN2KDM4EMAPT
SCHEMBL2732461 0.73 NR1H2 (0.40) NR1H2USP2SMN1; SMN2KDM4EMAPT
SCHEMBL8256483 0.72 NR1H2 (0.40) NR1H2USP2SMN1; SMN2KDM4EMAPT
SCHEMBL1911350 0.72 NR1H2 (0.40) NR1H2USP2SMN1; SMN2KDM4EMAPT
SCHEMBL202938 0.70 USP2 (0.50) NR1H2USP2SMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986302-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-03-22 — — EP disclosed
EP-0812203-A4 INHIBITORS OF GERANYLGERANYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-04-14 — — EP disclosed
EP-0725650-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 — — EP disclosed
WO-1998054966-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-12-10 — — WO disclosed
EP-0836383-A1 COMBINATIONS OF INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-22 — — EP disclosed
EP-0812203-A1 INHIBITORS OF GERANYLGERANYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-12-17 — — EP disclosed
EP-0783517-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 — — EP disclosed
EP-0725650-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1996-08-14 — — EP disclosed
EP-0666844-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1995-08-16 — — EP disclosed
WO-1995020396-A1 INHIBITORS OF GERANYLGERANYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1995-08-03 — — WO disclosed
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