SCHEMBL7744185

SCHEMBL7744185

CC(C)(C)OC(=O)N1CCc2ccc(-c3ccccc3)cc2C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.67
ESR2 Q92731 1/20 0.62
ABHD6 Q9BV23 1/20 0.52
MAPK1 P28482 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
UCHL1 P09936 1/20 0.50
NAMPT P43490 1/20 0.49
HSD17B3 P37058 1/20 0.49
USP30 Q70CQ3 3/20 0.48
CRBN Q96SW2 1/20 0.47
GPR119 Q8TDV5 1/20 0.47
HDAC6 Q9UBN7 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
ABCB1 P08183 1/20 0.45
NPC1 O15118 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
SCHEMBL30593270 0.95 ESR2 (0.69) NR1H2ESR2ABHD6MAPK1MEN1
SCHEMBL23124526 0.95 ESR2 (0.69) NR1H2ESR2ABHD6MAPK1MEN1
SCHEMBL31070535 0.90 ABHD6 (0.63) NR1H2ESR2ABHD6MAPK1UCHL1
SCHEMBL31021995 0.87 NR1H2 (0.63) NR1H2ESR2ABHD6MAPK1NAMPT
SCHEMBL1784590 0.87 NR1H2 (0.67) NR1H2ESR2MAPK1MEN1KMT2A
SCHEMBL13718183 0.87 NR1H2 (0.63) NR1H2ESR2ABHD6MAPK1NAMPT
SCHEMBL8485212 0.86 NR1H2 (0.62) NR1H2ESR2ABHD6MAPK1MEN1
SCHEMBL30199347 0.85 NR1H2 (0.55) NR1H2ESR2MAPK1TMEM97SIGMAR1
SCHEMBL7804799 0.84 ESR2 (0.71) NR1H2ESR2ABHD6MAPK1MEN1
SCHEMBL21557603 0.84 NR1H2 (0.60) NR1H2ESR2MAPK1NAMPTUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045843-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
EP-1045843-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
US-5977134-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-11-02 US disclosed
WO-1999028313-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed