SCHEMBL6936747

SCHEMBL6936747

CC(C)(C)OC(=O)CNC(CC(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41
UTS2R Q9UKP6 8/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
PTPRC P08575 2/20 0.40
CTSA P10619 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PTPN7 P35236 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5155595 0.86 ALDH1A1 (0.44) PTPRCCTSSCTSKALDH1A1SMN1; SMN2
SCHEMBL4167953 0.86 ALDH1A1 (0.44) PTPRCCTSSCTSKALDH1A1SMN1; SMN2
SCHEMBL16680856 0.86 ALDH1A1 (0.44) PTPRCCTSSCTSKALDH1A1SMN1; SMN2
SCHEMBL13802924 0.83 GABRB1 (0.53) CYP2D6TSHRGABRB1GABRB2UTS2R
SCHEMBL5387329 0.82 UTS2R (0.45) MEN1CYP1A2CYP2D6TSHRKMT2A
SCHEMBL8592999 0.78 CYP2D6 (0.41) MEN1CYP1A2CYP2D6TSHRKMT2A
SCHEMBL17697851 0.77 EEF2K (0.46) CTSACTSSCTSKALDH1A1SMN1; SMN2
SCHEMBL8362256 0.75 GABRB1 (0.52) GABRB1GABRB2UTS2RCTSBCTSS
SCHEMBL6359617 0.74 RIPK1 (0.50) PTPRCCTSSCTSK
SCHEMBL6359621 0.74 RIPK1 (0.50) PTPRCCTSSCTSK

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-0907643-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2003-01-15 EP disclosed
US-5919777-A PIPERAZINE DERIVATIVES USEFUL FOR TREATING MEDICAL DISORDERS RESULTING FROM A GROWTH HORMONE DEFIENCY NOVO NORDISK A/S (DK) 1999-07-06 US disclosed
EP-0907643-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1999-04-14 EP disclosed
WO-1997040023-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-10-30 WO disclosed