SCHEMBL8767170

SCHEMBL8767170

O=C(O)CCOCc1cc(C(=O)O)ccc1NC(=O)CCc1cccc(OCCCCOc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ FFAR1 O14842 5/20 0.47
▸ POLB P06746 1/20 0.46
▸ NR1H4 Q96RI1 2/20 0.44
▸ NR4A2 P43354 1/20 0.41
▸ LTB4R Q15722 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ SENP1 Q9P0U3 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PLA2G4B P0C869 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYSLTR2 Q9NS75 1/20 0.40
▸ CYSLTR1 Q9Y271 1/20 0.40

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
SCHEMBL8418610 0.88 HTT (0.51) HTTSMN1; SMN2FFAR1POLBNR1H4
SCHEMBL8422577 0.85 HTT (0.54) HTTSMN1; SMN2FFAR1POLBNR1H4
SCHEMBL8767987 0.85 HTT (0.49) HTTSMN1; SMN2FFAR1POLBNR1H4
SCHEMBL8767951 0.83 HTT (0.53) HTTSMN1; SMN2FFAR1POLBNR1H4
SCHEMBL8420643 0.82 POLB (0.51) HTTSMN1; SMN2FFAR1POLBNR1H4
SCHEMBL8767163 0.81 HTT (0.47) HTTSMN1; SMN2FFAR1POLBNR1H4
SCHEMBL8418915 0.80 HTT (0.41) HTTSMN1; SMN2NR1H4CYSLTR2CYSLTR1
SCHEMBL8420292 0.78 GAA (0.68) HTTSMN1; SMN2FFAR1POLBNR1H4
SCHEMBL8418917 0.76 POLB (0.47) HTTSMN1; SMN2POLBNR1H4LTB4R
SCHEMBL17413767 0.75 FFAR1 (0.71) FFAR1FFAR4CYSLTR2CYSLTR1

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-0791576-A2 Leukotriene antagonistic benzoic acid derivatives BAYER AG (DE) 1997-08-27 — — EP disclosed
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