SCHEMBL9625890

SCHEMBL9625890

C=CCc1ccccc1OCc1cccc(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
TP53 P04637 1/20 0.55
SLC1A5 Q15758 1/20 0.51
HTR1A P08908 4/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1B P35368 1/20 0.47
ADRA2C P18825 2/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
NISCH Q9Y2I1 1/20 0.47
ABCB1 P08183 1/20 0.47
DRD2 P14416 1/20 0.47
MAOB P27338 3/20 0.46
SGMS2 Q8NHU3 1/20 0.46
THRB P10828 1/20 0.45
IDO1 P14902 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL9722212 0.90 HTR1A (0.52) MAPTTP53HTR1AADRA1AADRA2C
SCHEMBL22221259 0.84 MAPT (0.55) MAPTTP53SLC1A5HTR1AADRA1A
SCHEMBL7805002 0.83 HTR1A (0.61) MAPTTP53HTR1AADRA1AADRA2C
SCHEMBL29799217 0.83 ALDH1A1 (0.48) MAPTTP53HTR1AADRA1AADRA2C
SCHEMBL20257761 0.82 SLC1A5 (0.55) MAPTSLC1A5HTR1AADRA1AADRA1D
SCHEMBL9625666 0.81 HTR1A (0.56) MAPTTP53HTR1AADRA1AADRA2C
SCHEMBL23004958 0.81 SLC1A5 (0.54) MAPTSLC1A5HTR1AADRA1AADRA1D
SCHEMBL5644007 0.81 SLC1A5 (0.54) MAPTSLC1A5HTR1AADRA1AADRA1D
SCHEMBL21726729 0.80 MAPT (0.52) MAPTTP53SLC1A5HTR1AADRA1A
SCHEMBL21844358 0.79 GAA (0.60) MAPTSLC1A5HTR1AADRA1AADRA1D

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
EP-0469684-A1 Polyimide compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-02-05 EP disclosed