SCHEMBL8976466

SCHEMBL8976466

Cc1cccc(CC2CO2)c1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.51
PTGER3 P43115 5/20 0.51
PTGER2 P43116 5/20 0.51
PTGER1 P34995 3/20 0.51
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
BCHE P06276 2/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
SCN4A P35499 1/20 0.38

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
SCHEMBL5879473 0.91 TDP1 (0.42) PTGER4PTGER3PTGER2PTGER1HTR1A
SCHEMBL8732326 0.84 PTGER4 (0.42) PTGER4PTGER3PTGER2PTGER1HTR1A
SCHEMBL8732315 0.84 PTGER4 (0.42) PTGER4PTGER3PTGER2PTGER1HTR1A
SCHEMBL5879437 0.83 LMNA (0.40) PTGER4PTGER3PTGER2PTGER1ALDH1A1
SCHEMBL9857320 0.80 SLC6A2 (0.48) PTGER4PTGER3PTGER2HTR1ABCHE
SCHEMBL21772327 0.80 ALDH1A1 (0.42) HTR1AALDH1A1GLATDP1LMNA
SCHEMBL8592447 0.79 ALDH1A1 (0.63) PTGER4PTGER3PTGER2PTGER1HTR1A
SCHEMBL12670343 0.78 L3MBTL1 (0.36) HTR1AADRA1DADRA1AADRA1BALDH1A1
SCHEMBL18716386 0.78 HTR1A (0.61) PTGER4PTGER3PTGER2PTGER1HTR1A
SCHEMBL29157698 0.77 ALDH1A1 (0.40) ALDH1A1GLATDP1LMNASCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480905-A ANTIDEPRESSANTS, ANXIOLYTIC AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1996-01-02 US disclosed
EP-0565732-A1 BENZODIOXANE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1993-10-20 EP disclosed