SCHEMBL7189105

SCHEMBL7189105

O=C1OC(=O)C2(c3ccccc3)C3C=CC(C3)C12c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 1/20 0.33
EGFR P00533 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
MAOB P27338 9/20 0.32
MAOA P21397 8/20 0.32
KDM1A O60341 6/20 0.32
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31

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
SCHEMBL1741105 0.82 MAOB (0.39) MAOBMAOAKDM1A
SCHEMBL5822879 0.73 SMN1; SMN2 (0.35) SMN1; SMN2MAPK1ALDH1A1MEN1CYP2C9
SCHEMBL10477952 0.69 TP53 (0.32) SMN1; SMN2MAPK1MEN1KMT2ANFKB1
SCHEMBL20986946 0.68 MAPK1 (0.41) SMN1; SMN2MAPK1CHRM2CHRM4ALDH1A1
SCHEMBL6269153 0.67 ALDH1A1 (0.36) SMN1; SMN2MAPK1ALDH1A1MEN1KMT2A
SCHEMBL11469864 0.66 CFTR (0.39) SMN1; SMN2MAPK1CHRM2CHRM4ALDH1A1
SCHEMBL16192645 0.66 TP53 (0.30) SMN1; SMN2MAPK1MEN1KMT2ANFKB1
SCHEMBL7187721 0.66 TP53 (0.34) SMN1; SMN2MAPK1MEN1KMT2ANFKB1
SCHEMBL11573985 0.66 TP53 (0.30) SMN1; SMN2MAPK1MEN1KMT2ANFKB1
SCHEMBL7182080 0.66 TP53 (0.48) SMN1; SMN2MAPK1MEN1KMT2ANFKB1

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-20030064235-A1 Optical members made of polymide resins MITSUI CHEMICALS, INC. (JP) 2003-04-03 US disclosed
EP-1237015-A1 OPTICAL MEMBERS MADE OF POLYIMIDE RESINS Mitsui Chemicals, Inc. (JP) 2002-09-04 EP disclosed