SCHEMBL9701936

SCHEMBL9701936

CCCCOc1cc(C)c(OCc2ccccc2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 1/20 0.51
C5AR1 P21730 1/20 0.51
HTR1A P08908 6/20 0.49
ADRA1D P25100 6/20 0.49
ADRA1A P35348 6/20 0.49
ADRA1B P35368 6/20 0.49
FFAR4 Q5NUL3 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
STAT3 P40763 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
RARB P10826 1/20 0.44

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
SCHEMBL25081934 0.88 MAPT (0.64) MAPK1TDP1L3MBTL1MAPTHTR1A
SCHEMBL12745447 0.86 HTR1A (0.63) MAPK1TDP1L3MBTL1MAPTC5AR1
SCHEMBL8940493 0.86 PPARG (0.52) TDP1L3MBTL1C5AR1FFAR4
SCHEMBL12434156 0.82 ESR1 (0.49) MAPK1TDP1L3MBTL1MAPTCYP1A2
SCHEMBL10605002 0.81 C5AR1 (0.52) MAPK1TDP1L3MBTL1MAPTC5AR1
SCHEMBL28512565 0.81 HTR1A (0.54) MAPK1TDP1L3MBTL1MAPTHTR1A
SCHEMBL12745444 0.81 HTR1A (0.61) MAPK1TDP1L3MBTL1MAPTC5AR1
SCHEMBL10604249 0.80 MAPT (0.56) MAPK1TDP1L3MBTL1MAPTC5AR1
SCHEMBL12745448 0.79 HTR1A (0.59) MAPK1TDP1L3MBTL1MAPTC5AR1
SCHEMBL17659021 0.78 MAPT (0.53) MAPK1TDP1L3MBTL1MAPTHTR1A

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-5166398-A Anticholesterol agents or atherosclerosis WARNER-LAMBERT CO. (US) 1992-11-24 US disclosed