SCHEMBL8046492

SCHEMBL8046492

CC(C)=CCOC(=O)C(=O)OCl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
TTR P02766 1/20 0.36
BTN3A1 O00481 1/20 0.35
TRPV1 Q8NER1 2/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33

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
SCHEMBL8046495 0.82 ALOX15 (0.42) ALOX15ALDH1A1MMP1MMP2MMP9
SCHEMBL873418 0.77 ALOX15 (0.42) ALOX15ALDH1A1MMP1MMP2MMP9
SCHEMBL873417 0.77 ALOX15 (0.42) ALOX15ALDH1A1MMP1MMP2MMP9
SCHEMBL1695760 0.77 TSHR (0.48) ALOX15ALDH1A1MMP1MMP2MMP9
SCHEMBL27200277 0.77 ALOX15 (0.42) ALOX15ALDH1A1MMP1MMP2MMP9
SCHEMBL955895 0.76
SCHEMBL113776 0.75
SCHEMBL6913629 0.75 ALDH1A1 (0.48) ALOX15ALDH1A1MMP1MMP2MMP9
SCHEMBL1871028 0.75 ALDH1A1 (0.65) ALOX15ALDH1A1MMP1MMP2MMP9
SCHEMBL999287 0.74 CYP3A4 (0.41) ALDH1A1

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
US-6010826-A Resist composition NIPPON ZEON CO., LTD. (JP) 2000-01-04 US disclosed
EP-0786701-A1 RESIST COMPOSITION NIPPON ZEON CO., LTD. (JP) 1997-07-30 EP disclosed