SCHEMBL11706207

SCHEMBL11706207

COc1cc(CC2c3cc(OCc4ccccc4)c(OC)cc3CCN2C)c([N+](=O)[O-])cc1OC

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPK1 P28482 1/20 0.53
CYP2D6 P10635 1/20 0.53
ALOX15 P16050 1/20 0.52
CHRNA7 P36544 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR1A P08908 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR7 P34969 1/20 0.49
HTR2B P41595 1/20 0.49

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
SCHEMBL11245540 0.90 PDE4D (0.50) PDE4DALDH1A1CHRNA7MEN1KMT2A
SCHEMBL9585990 0.82 LMNA (0.79) ALDH1A1LMNAKDM4EHSD17B10MAPK1
SCHEMBL30585089 0.82 LMNA (0.79) ALDH1A1LMNAKDM4EHSD17B10MAPK1
SCHEMBL8236635 0.78 LMNA (0.79) ALDH1A1LMNAKDM4EHSD17B10MAPK1
SCHEMBL6486885 0.77 LMNA (0.58) PDE4DALDH1A1LMNAKDM4EHSD17B10
SCHEMBL11710871 0.77 DRD2 (0.60) ALDH1A1LMNAKDM4EHSD17B10MAPK1
SCHEMBL11710463 0.77 BCHE (0.58) ALDH1A1LMNAKDM4EHSD17B10MAPK1
SCHEMBL14740295 0.76 MAOA (0.67) CHRNA7HTR1AHTR2AHTR2CHTR7
SCHEMBL29059128 0.76 LMNA (0.71) ALDH1A1LMNAKDM4EHSD17B10MAPK1
SCHEMBL11708395 0.75 DRD2 (0.56) ALDH1A1LMNAKDM4EHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4013664-A PSCHORR CYCLIZATION RESEARCH CORPORATION (US) 1977-03-22 US disclosed