SCHEMBL9033192

SCHEMBL9033192

CCCC[Si](C)(C)c1cc(Br)ccc1CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
GAA P10253 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
CNR1 P21554 4/20 0.33
CNR2 P34972 4/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL556905 0.72 LIPG (0.39) NR1H2NR1H3CNR1CNR2POLB
SCHEMBL9031926 0.72 PTGDR2 (0.37) NPC1RAB9ASLC6A2SLC6A4PTGDR2
SCHEMBL16904179 0.71 TYR (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6424764 0.71 CNR1 (0.35) NR1H2NR1H3CNR1CNR2
SCHEMBL6899457 0.70 SLC6A2 (0.37) NPC1RAB9ASMN1; SMN2SLC6A2SLC6A4
SCHEMBL12363309 0.69 NR1H2 (0.54) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL16957806 0.67 PTGDR2 (0.41) NPC1RAB9ASMN1; SMN2SLC6A2SLC6A4
SCHEMBL20562572 0.67 PTGDR2 (0.41) NPC1RAB9ASMN1; SMN2SLC6A2SLC6A4
SCHEMBL1581656 0.66 PTGDR2 (0.47) NPC1RAB9ASMN1; SMN2SLC6A2SLC6A4
SCHEMBL16962174 0.66 PTGDR2 (0.47) NPC1RAB9ASMN1; SMN2SLC6A2SLC6A4

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-0682654-A4 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE. MERCK & CO INC (US) 1996-01-17 EP disclosed
EP-0682654-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO. INC. (US) 1995-11-22 EP disclosed
WO-1994018169-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-08-18 WO disclosed