SCHEMBL9154589

SCHEMBL9154589

c1ccc(CCNCc2ccc(Oc3ccc(CNCCc4ccccc4)cc3)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.79
EPHX2 P34913 1/20 0.79
OPRM1 P35372 7/20 0.73
OPRD1 P41143 5/20 0.73
OPRK1 P41145 5/20 0.73
BCHE P06276 6/20 0.73
GAA P10253 1/20 0.71
MAPT P10636 1/20 0.71
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
ATM Q13315 1/20 0.65
TDP1 Q9NUW8 1/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA4 P22748 1/20 0.57
CA9 Q16790 1/20 0.57
GRIN2D O15399 1/20 0.56

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
SCHEMBL9081140 0.98 LTA4H (0.82) LTA4HEPHX2OPRM1OPRD1OPRK1
SCHEMBL8499156 0.98 LTA4H (0.82) LTA4HEPHX2OPRM1OPRD1OPRK1
SCHEMBL8810102 0.92 LTA4H (0.94) LTA4HEPHX2OPRM1OPRD1OPRK1
SCHEMBL10098558 0.92 LTA4H (0.68) LTA4HEPHX2OPRM1OPRD1OPRK1
SCHEMBL579810 0.92 LTA4H (0.68) LTA4HEPHX2OPRM1OPRD1OPRK1
SCHEMBL14201268 0.89 OPRM1 (0.65) LTA4HEPHX2OPRM1OPRD1OPRK1
SCHEMBL5947260 0.89 BCHE (0.68) LTA4HEPHX2OPRM1OPRD1OPRK1
SCHEMBL11881258 0.88 GAA (0.91) LTA4HEPHX2BCHEGAAMAPT
SCHEMBL3272134 0.88 GAA (0.91) LTA4HEPHX2BCHEGAAMAPT
SCHEMBL8493877 0.88 BCHE (0.72) LTA4HEPHX2OPRM1OPRD1OPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369219-B1 Light-sensitive compounds, preparation of a light-sensitive mixture therewith and a recording material HOECHST AG (DE) 1995-01-04 EP disclosed
US-5114816-A RADIATION-SENSITIVE COMPOUNDS, RADIATION-SENSITIVE MIXTURE PREPARED THEREWITH AND COPYING MATERIAL HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-19 US disclosed
EP-0369219-A1 Light-sensitive compounds, preparation of a light-sensitive mixture therewith and a recording material HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-23 EP disclosed