SCHEMBL5874975

SCHEMBL5874975

O=C(ON1CCNCC1)c1cc(O)c(O)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
FUT7 Q11130 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
XDH P47989 1/20 0.46
GFER P55789 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SERPINE1 P05121 11/20 0.45
POLA1 P09884 1/20 0.40
ANTXR2 P58335 1/20 0.40
NSD2 O96028 1/20 0.40
SYNJ2 O15056 1/20 0.39
CA12 O43570 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 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
SCHEMBL5875331 0.83 SERPINE1 (0.49) POLBKDM4ELMNAFUT7TDP1
SCHEMBL11197360 0.78 CA12 (0.44) LMNATDP1CA12ALDH1A1CA1
SCHEMBL9665160 0.78 SIGMAR1 (0.46) ALDH1A1TP53HSD17B10
SCHEMBL27981017 0.76 OPRD1 (0.35) POLBKDM4EALDH1A1MAPTHPGD
SCHEMBL24120719 0.76 SIGMAR1 (0.56) POLBLMNAALDH1A1HSD17B10
SCHEMBL4522298 0.76 SIGMAR1 (0.56) POLBLMNAALDH1A1HSD17B10
SCHEMBL27383717 0.75 SIGMAR1 (0.54) POLBLMNAALDH1A1HSD17B10
SCHEMBL28083939 0.75 SIGMAR1 (0.54) POLBLMNAALDH1A1HSD17B10
SCHEMBL21467212 0.75 SIGMAR1 (0.54) POLBLMNAALDH1A1HSD17B10
SCHEMBL6885871 0.73 GAA (0.47) KDM4ELMNAGAAL3MBTL1ALDH1A1

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-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed