SCHEMBL13449262

SCHEMBL13449262

CCC1(C)CCN(C(=O)OC(C)(C)C)C(C)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ ACACB O00763 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL21665970 0.89 JAK2 (0.37) JAK2JAK1ACACBEPHX2KDM1A
SCHEMBL31756360 0.83 JAK2 (0.37) JAK2JAK1ACACBEPHX2ALDH1A1
SCHEMBL26544362 0.82 EPHX2 (0.38) JAK2JAK1ACACBEPHX2KDM1A
SCHEMBL19389951 0.82 EPHX2 (0.38) JAK2JAK1ACACBEPHX2KDM1A
SCHEMBL23578904 0.81 EPHX2 (0.37) JAK2JAK1ACACBEPHX2KDM1A
SCHEMBL30532870 0.81 EPHX2 (0.37) JAK2JAK1ACACBEPHX2KDM1A
SCHEMBL31756246 0.81 EPHX2 (0.37) JAK2JAK1ACACBEPHX2KDM1A
SCHEMBL25151395 0.79 JAK2 (0.38) JAK2JAK1ACACBEPHX2KDM1A
SCHEMBL27829228 0.79 JAK2 (0.42) JAK2JAK1ACACBEPHX2ALDH1A1
SCHEMBL28558549 0.78 JAK2 (0.38) JAK2JAK1ACACBEPHX2KDM1A

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-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 — — EP disclosed
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