SCHEMBL8943785

SCHEMBL8943785

CCOc1ccc(N(c2ccc(OCC)cc2)c2ccc(Oc3ccc(N(c4ccc(OCC)cc4)c4ccc(OCC)cc4)cc3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.65
NQO1 P15559 1/20 0.64
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PARP10 Q53GL7 1/20 0.44
RELA Q04206 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44

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
SCHEMBL3239122 0.93 NQO1 (0.74) LTA4HNQO1TSHRTDP1ALDH1A1
SCHEMBL12476726 0.88 NQO1 (0.82) LTA4HNQO1TSHRTDP1ALDH1A1
SCHEMBL6285912 0.88 NQO1 (0.82) LTA4HNQO1TSHRTDP1ALDH1A1
SCHEMBL19017946 0.86 NQO1 (0.64) LTA4HNQO1TSHRTDP1ALDH1A1
SCHEMBL8943971 0.86 LTA4H (0.70) LTA4HNQO1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL8944052 0.84 LTA4H (0.63) LTA4HNQO1TSHRTDP1ALDH1A1
SCHEMBL8944288 0.84 NQO1 (0.61) LTA4HNQO1TSHRTDP1ALDH1A1
SCHEMBL8943626 0.84 NQO1 (0.61) LTA4HNQO1TSHRTDP1ALDH1A1
SCHEMBL6306948 0.84 LTA4H (0.63) LTA4HNQO1TSHRTDP1ALDH1A1
SCHEMBL6342735 0.83 NQO1 (0.58) LTA4HNQO1TSHRTDP1ALDH1A1

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
US-5480765-A PRESSURE AND HEAT SENSITIVE PAPER, IMPROVED PHOTOSTABILITY BY ADDITION OF TRIARYLAMINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 US disclosed