SCHEMBL8847717

SCHEMBL8847717

CCCC/C=C/c1ccc(O)c(CO)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.46
▸ MMP9 P14780 2/20 0.46
▸ MMP8 P22894 2/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ IAPP P10997 2/20 0.43
▸ APP P05067 7/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ OPRD1 P41143 1/20 0.40
▸ TNNC1 P63316 1/20 0.40
▸ KLF10 Q13118 1/20 0.40
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ AKR1B10 O60218 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ AKR1C3 P42330 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
SCHEMBL8847721 1.00 MMP2 (0.46) MMP2MMP9MMP8NFKB1ALDH1A1
SCHEMBL28734267 0.84 PTGS1 (0.43) MMP2MMP9MMP8NFKB1ALDH1A1
SCHEMBL8847575 0.83 IAPP (0.59) ALDH1A1CYP3A4RECQLIAPPAPP
SCHEMBL9682413 0.83 IAPP (0.59) ALDH1A1CYP3A4RECQLIAPPAPP
SCHEMBL28720493 0.81 PTGS1 (0.41) ALDH1A1CYP3A4RECQLIAPPAPP
SCHEMBL29722134 0.81 PTGS1 (0.41) MMP2MMP9MMP8NFKB1ALDH1A1
SCHEMBL6056797 0.81 BACE1 (0.48) ALDH1A1CYP3A4RECQLIAPPAPP
SCHEMBL6056802 0.81 BACE1 (0.48) ALDH1A1CYP3A4RECQLIAPPAPP
SCHEMBL8409048 0.80 TNNC1 (0.41) MMP2MMP9NFKB1ALDH1A1CYP3A4
SCHEMBL12692553 0.80 ALDH1A1 (0.69) MMP2MMP9MMP8NFKB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5610169-A Pharmaceutical Composition containing slightly water-soluble drug THE GREEN CROSS CORPORATION (JP) 1997-03-11 — — US disclosed
US-5462951-A Dissolved in a polyoxyethylene sorbitan fatty acid ester and adsorbed onto a porosity inorganic substance THE GREEN CROSS CORPORATION (JP) 1995-10-31 — — US disclosed
EP-0448091-A2 Pharmaceutical composition containing slightly water-soluble drug THE GREEN CROSS CORPORATION (JP) 1991-09-25 — — EP disclosed
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