SCHEMBL6456509

SCHEMBL6456509

CCCCCCCC1CCC2CC(c3ccc(-c4ccc(OCc5ccccc5)cc4)c(F)c3)CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
FDFT1 P37268 1/20 0.34
PLG P00747 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
MAOA P21397 5/20 0.34
MAOB P27338 5/20 0.34
KDM1A O60341 4/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
RARB P10826 1/20 0.33
GYS1 P13807 2/20 0.33
FFAR1 O14842 1/20 0.33
PPARD Q03181 1/20 0.33

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
SCHEMBL6459061 1.00 GSTP1 (0.36) GSTP1FFAR4FDFT1PLGPRSS1
SCHEMBL6459060 1.00 GSTP1 (0.36) GSTP1FFAR4FDFT1PLGPRSS1
SCHEMBL6456506 1.00 GSTP1 (0.36) GSTP1FFAR4FDFT1PLGPRSS1
SCHEMBL6458529 0.99 GSTP1 (0.37) GSTP1FFAR4FDFT1PLGPRSS1
SCHEMBL6458531 0.99 GSTP1 (0.37) GSTP1FFAR4FDFT1PLGPRSS1
SCHEMBL6457940 0.96 GSTP1 (0.38) GSTP1FFAR4FDFT1MAOAMAOB
SCHEMBL6457946 0.96 GSTP1 (0.38) GSTP1FFAR4FDFT1MAOAMAOB
SCHEMBL6451859 0.93 GSTP1 (0.39) GSTP1FFAR4FDFT1MAOAMAOB
SCHEMBL6451865 0.93 GSTP1 (0.39) GSTP1FFAR4FDFT1MAOAMAOB
SCHEMBL6458246 0.90 PRMT5 (0.37) FFAR4KDM1AFFAR1PPARD

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-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed