SCHEMBL8886459

SCHEMBL8886459

CC(S)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
C5AR1 P21730 1/20 0.45
CCR5 P51681 1/20 0.45
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
F2 P00734 2/20 0.43
F10 P00742 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
F7 P08709 2/20 0.43
F3 P13726 2/20 0.43
PRSS3 P35030 2/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL20132718 0.88 KEAP1 (0.51) MAPTMAPK1TDP1L3MBTL1CCR5
SCHEMBL682767 0.87 MAPT (0.49) MAPTMAPK1TDP1L3MBTL1C5AR1
SCHEMBL27737866 0.86 MAPT (0.42) MAPTMAPK1TDP1L3MBTL1CCR5
SCHEMBL28815272 0.85 CCR5 (0.49) MAPTMAPK1TDP1L3MBTL1C5AR1
SCHEMBL8886562 0.84 HPGD (0.49) MAPTMAPK1TDP1L3MBTL1C5AR1
SCHEMBL30280437 0.84 HPGD (0.49) MAPTMAPK1TDP1L3MBTL1C5AR1
SCHEMBL10710291 0.84 CFD (0.49) MAPTMAPK1TDP1L3MBTL1C5AR1
SCHEMBL17833745 0.79 SMPD1 (0.53) MAPK1RAB9AALDH1A1F2F10
SCHEMBL11833134 0.79 F2 (0.47) MAPTMAPK1TDP1L3MBTL1C5AR1
SCHEMBL12738664 0.79 NPC1 (0.55) MAPTRAB9AALDH1A1F2F10

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-5674909-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS ZAMBON GROUP (IT) 1997-10-07 US disclosed