SCHEMBL8685113

SCHEMBL8685113

[O-][N+]1(CCOc2ccc(C(O)c3ccsc3)cc2)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.39
HRH3 Q9Y5N1 3/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA7 P36544 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNA10 Q9GZZ6 2/20 0.33
CHRNA9 Q9UGM1 2/20 0.33
ABL1 P00519 1/20 0.31
LCK P06239 1/20 0.31
YES1 P07947 1/20 0.31
LYN P07948 1/20 0.31
SRC P12931 1/20 0.31
EPHB4 P54760 1/20 0.31
CHRM2 P08172 4/20 0.31
CHRM1 P11229 4/20 0.31
CHRM3 P20309 4/20 0.31
PSMB1 P20618 1/20 0.31
PSMB5 P28074 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
SCHEMBL8683882 0.78 LTA4H (0.56) LTA4HHRH3CHRNB2CHRNB4CHRNA3
SCHEMBL8683329 0.77 PSMB1 (0.43) LTA4HPSMB1PSMB5
SCHEMBL8417793 0.77 LTA4H (0.68) LTA4HHRH3PSMB1PSMB5
SCHEMBL17100113 0.75 LTA4H (0.39) LTA4HCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17100252 0.74 GPR88 (0.39) LTA4HCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17100236 0.68 LTA4H (0.35) LTA4HCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8901779 0.68 ESR1 (0.47)
SCHEMBL8910200 0.68 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17111330 0.68 TSHR (0.43)
SCHEMBL17100290 0.68 PPARA (0.36) LTA4HCHRNB2CHRNB4CHRNA3CHRNA4

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-5731342-A FOR TREATING AND PREVENTING POSTMENOPAUSAL SYNDROME AND BREAST CANCER ELI LILLY AND COMPANY (US) 1998-03-24 US disclosed