SCHEMBL6455474

SCHEMBL6455474

CCC1CCC2CC(c3ccc(-c4ccc(OCc5ccccc5)cc4)c(F)c3)CCC2C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.40
FDFT1 P37268 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
PRMT5 O14744 5/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
KDM1A O60341 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
FFAR1 O14842 1/20 0.35
PPARD Q03181 1/20 0.35
GYS1 P13807 2/20 0.35
KCNH2 Q12809 1/20 0.35
PTGES O14684 1/20 0.35

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
SCHEMBL6455471 1.00 GSTP1 (0.40) GSTP1FDFT1FFAR4PRMT5MRGPRX4
SCHEMBL6451859 0.93 GSTP1 (0.39) GSTP1FDFT1FFAR4PRMT5MRGPRX4
SCHEMBL6451865 0.93 GSTP1 (0.39) GSTP1FDFT1FFAR4PRMT5MRGPRX4
SCHEMBL6457946 0.91 GSTP1 (0.38) GSTP1FDFT1FFAR4PRMT5MRGPRX4
SCHEMBL6457940 0.91 GSTP1 (0.38) GSTP1FDFT1FFAR4PRMT5MRGPRX4
SCHEMBL6458529 0.90 GSTP1 (0.37) GSTP1FDFT1FFAR4PRMT5MRGPRX4
SCHEMBL6458531 0.90 GSTP1 (0.37) GSTP1FDFT1FFAR4PRMT5MRGPRX4
SCHEMBL6459060 0.89 GSTP1 (0.36) GSTP1FDFT1FFAR4MRGPRX4KDM1A
SCHEMBL6456509 0.89 GSTP1 (0.36) GSTP1FDFT1FFAR4MRGPRX4KDM1A
SCHEMBL6459061 0.89 GSTP1 (0.36) GSTP1FDFT1FFAR4MRGPRX4KDM1A

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