SCHEMBL7526430

SCHEMBL7526430

ICCCc1ccccc1OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.69
DRD2 P14416 4/20 0.69
MGLL Q99685 1/20 0.58
PTGER1 P34995 1/20 0.58
PTGER4 P35408 1/20 0.58
PTGER3 P43115 1/20 0.58
PTGER2 P43116 1/20 0.58
ABCB1 P08183 9/20 0.58
GAA P10253 2/20 0.50
ABCG2 Q9UNQ0 2/20 0.49
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL3121966 0.95 HTR1A (0.67) HTR1ADRD2MGLLPTGER1PTGER4
SCHEMBL7616541 0.89 HTR1A (0.73) HTR1ADRD2MGLLPTGER1PTGER4
SCHEMBL17197391 0.89 HTR1A (0.79) HTR1ADRD2MGLLPTGER1PTGER4
SCHEMBL9057460 0.86 HTR1A (0.79) HTR1ADRD2MGLLPTGER1PTGER4
SCHEMBL9277698 0.84 HTR1A (0.71) HTR1ADRD2MGLLPTGER1PTGER4
SCHEMBL16825351 0.83 HTR1A (0.69) HTR1ADRD2MGLLPTGER1PTGER4
SCHEMBL3159332 0.83 HTR1A (0.69) HTR1ADRD2MGLLPTGER1PTGER4
SCHEMBL31561714 0.83 HTR1A (0.69) HTR1ADRD2MGLLPTGER1PTGER4
SCHEMBL7620729 0.82 HTR1A (0.63) HTR1ADRD2MGLLPTGER1PTGER4
SCHEMBL6691872 0.82 HTR1A (0.67) HTR1ADRD2MGLLPTGER1PTGER4

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
EP-1179529-A1 NOVEL HYDROXAMIC ACID DERIVATIVES Daiichi Fine Chemical Co., Ltd. (JP) 2002-02-13 EP disclosed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP disclosed