SCHEMBL4625385

SCHEMBL4625385

C=C(C(=O)O)C(CC)N1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
KDM4E B2RXH2 4/20 0.34
SLC6A3 Q01959 3/20 0.34
ALDH1A1 P00352 3/20 0.34
SLC6A2 P23975 2/20 0.34
TP53 P04637 1/20 0.34
SLC6A4 P31645 1/20 0.34
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 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
SCHEMBL1128614 0.87 ALDH1A1 (0.41) ALDH1A1LMNAPOLBKMT2A
SCHEMBL525070 0.81 SIGMAR1 (0.40) SIGMAR1SLC6A3SLC6A2SLC6A4CA1
SCHEMBL11530558 0.80 GPR84 (0.39) SIGMAR1SLC6A3SLC6A2CA1DRD3
SCHEMBL3102765 0.78
SCHEMBL5617609 0.71 MAPT (0.44) SIGMAR1KDM4ESLC6A3ALDH1A1SLC6A2
SCHEMBL11797800 0.71 ALDH1A1 (0.41) KDM4EALDH1A1LMNACA12CA1
SCHEMBL6423819 0.71 SIGMAR1 (0.41) SIGMAR1SLC6A3SLC6A2SLC6A4
SCHEMBL4441694 0.70 SLC6A3 (0.50) SLC6A3SLC6A2SLC6A4
SCHEMBL19889439 0.70 SLC6A3 (0.46) SIGMAR1SLC6A3SLC6A2SLC6A4LMNA
SCHEMBL8529806 0.70 SLC6A3 (0.46) SIGMAR1SLC6A3SLC6A2SLC6A4LMNA

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
EP-1376247-B1 Image recording material and image display material using the same FUJI XEROX CO LTD (JP) 2008-06-11 EP disclosed
EP-1376247-A2 Image recording material and image display material using the same FUJI XEROX CO., LTD. (JP) 2004-01-02 EP disclosed