SCHEMBL8767987

SCHEMBL8767987

O=C(O)CCCC(=O)c1cc(C(=O)O)ccc1NC(=O)CCc1cccc(OCCCCOc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ FFAR1 O14842 4/20 0.48
▸ POLB P06746 1/20 0.48
▸ NR1H4 Q96RI1 1/20 0.45
▸ LTB4R Q15722 1/20 0.45
▸ CYSLTR2 Q9NS75 1/20 0.43
▸ CYSLTR1 Q9Y271 1/20 0.43
▸ HCAR2 Q8TDS4 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ PPARA Q07869 1/20 0.42
▸ ESR1 P03372 1/20 0.42

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
SCHEMBL8422577 0.91 HTT (0.54) HTTSMN1; SMN2FFAR1POLBNR1H4
SCHEMBL8767951 0.87 HTT (0.53) HTTSMN1; SMN2FFAR1POLBNR1H4
SCHEMBL8768544 0.86 ALDH1A1 (0.50) SMN1; SMN2POLBHCAR2HPGD
SCHEMBL8767170 0.85 HTT (0.47) HTTSMN1; SMN2FFAR1POLBNR1H4
SCHEMBL8767163 0.85 HTT (0.47) HTTSMN1; SMN2FFAR1POLBNR1H4
SCHEMBL8418610 0.84 HTT (0.51) HTTSMN1; SMN2FFAR1POLBNR1H4
SCHEMBL8420643 0.83 POLB (0.51) HTTSMN1; SMN2FFAR1POLBNR1H4
SCHEMBL8420292 0.79 GAA (0.68) HTTSMN1; SMN2FFAR1POLBNR1H4
SCHEMBL8418917 0.77 POLB (0.47) HTTSMN1; SMN2POLBNR1H4LTB4R
SCHEMBL8420661 0.77 HTT (0.55) HTTSMN1; SMN2FFAR1POLBNR1H4

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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