SCHEMBL6036804

SCHEMBL6036804

O=C(O)Oc1ccccc1CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.58
DRD2 P14416 3/20 0.58
ABCB1 P08183 6/20 0.50
PTGER1 P34995 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ADRB2 P07550 1/20 0.46
FFAR1 O14842 1/20 0.46
HTT P42858 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
TSHR P16473 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
SCHEMBL6006352 0.92 HTR1A (0.46) HTR1ADRD2ABCB1PTGER1PTGER4
SCHEMBL6745679 0.89 PTGER1 (0.55) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL29740762 0.86 PTGS2 (0.60) HTR1ADRD2ABCB1ALDH1A1HTT
SCHEMBL868868 0.86 PTGS2 (0.60) HTR1ADRD2ABCB1ALDH1A1HTT
SCHEMBL5478147 0.83 HPGD (0.50) DRD2TSHR
SCHEMBL29733434 0.82 HTR1A (0.50) HTR1ADRD2ABCB1ALDH1A1HTT
SCHEMBL15899172 0.82 HTR1A (0.46) HTR1ADRD2ABCB1PTGER1PTGER4
SCHEMBL29733421 0.82 THRB (0.63) HTR1ADRD2ABCB1PTGER1PTGER4
SCHEMBL606945 0.81 NPSR1 (0.41) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL608098 0.81 NPSR1 (0.41) HTR1ADRD2PTGER1PTGER4PTGER3

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-1185869-B1 LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER GRAFFINITY PHARMACEUTICALS AG (DE) 2006-07-26 EP disclosed