SCHEMBL7961222

SCHEMBL7961222

COc1c2c(c(OC)c(OC)c1OC)CC(CCCCCCCCO)(c1ccccc1)C2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.36
OPRL1 P41146 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
DPP4 P27487 1/20 0.32
SLC6A4 P31645 1/20 0.32
ICMT O60725 2/20 0.32
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MPO P05164 1/20 0.32
TSHR P16473 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
KCNA3 P22001 3/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL7961210 0.86 L3MBTL1 (0.32) L3MBTL1MEN1KMT2ADPP4SLC6A4
SCHEMBL7961297 0.83 L3MBTL1 (0.33) L3MBTL1MEN1KMT2ADPP4SLC6A4
SCHEMBL7971401 0.78 LMNA (0.40) OPRM1OPRL1MEN1KMT2AEPHX2
SCHEMBL7973063 0.76 MMP2 (0.32) OPRM1OPRL1TSHR
SCHEMBL7972666 0.72 CYP4F2 (0.45) CYP4F2CYP4A11
SCHEMBL15795307 0.69 SLC6A4 (0.54) OPRM1OPRL1L3MBTL1MEN1KMT2A
SCHEMBL7974393 0.67 CYP4F2 (0.46) CYP4F2CYP4A11
SCHEMBL7974408 0.66 EPHX2 (0.39) L3MBTL1MEN1KMT2AEPHX2ALDH1A1
SCHEMBL7974599 0.66 CYP4F2 (0.44) L3MBTL1MEN1KMT2AALDH1A1CYP4F2
SCHEMBL27377646 0.65 HTR2A (0.46) OPRM1OPRL1SLC6A4

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
US-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed
EP-0968164-A1 BICYCLIC QUINONE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-01-05 EP disclosed
WO-1998033758-A1 BICYCLIC QUINONE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-06 WO disclosed