SCHEMBL8943757

SCHEMBL8943757

CCOc1ccc(N(c2ccc(OCC)cc2)c2ccc(Sc3ccc(N(c4ccc(OCC)cc4)c4ccc(OCC)cc4)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.56
PTGIR P43119 1/20 0.49
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LTA4H P09960 2/20 0.44
PARP10 Q53GL7 1/20 0.40
RELA Q04206 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40

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
SCHEMBL10951255 0.89 NQO1 (0.70) NQO1PTGIRTSHRTDP1ALDH1A1
SCHEMBL3239122 0.87 NQO1 (0.74) NQO1TSHRTDP1ALDH1A1KDM4E
SCHEMBL12429525 0.82 NQO1 (0.58) NQO1PTGIRTSHRTDP1ALDH1A1
SCHEMBL16200806 0.82 LTA4H (0.61) NQO1PTGIRTSHRTDP1ALDH1A1
SCHEMBL19017946 0.81 NQO1 (0.64) NQO1TSHRTDP1ALDH1A1KDM4E
SCHEMBL8943785 0.81 LTA4H (0.65) NQO1TSHRTDP1ALDH1A1KDM4E
SCHEMBL14368588 0.80 LTA4H (0.68) NQO1PTGIRTSHRTDP1LTA4H
SCHEMBL6306948 0.79 LTA4H (0.63) NQO1TSHRTDP1ALDH1A1KDM4E
SCHEMBL8944052 0.79 LTA4H (0.63) NQO1TSHRTDP1ALDH1A1KDM4E
SCHEMBL8944288 0.79 NQO1 (0.61) NQO1TSHRTDP1ALDH1A1KDM4E

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