SCHEMBL6452641

SCHEMBL6452641

CCC1CC[C@@H]2C[C@H](c3cc(F)c(-c4ccc(C(F)(F)F)cc4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.35
DGAT1 O75907 2/20 0.34
SOAT1 P35610 1/20 0.34
HTR2C P28335 2/20 0.33
TEAD1 P28347 2/20 0.33
CNR1 P21554 2/20 0.32
IDO1 P14902 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
TRPC3 Q13507 1/20 0.32
TRPC7 Q9HCX4 1/20 0.32
P2RY14 Q15391 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HEXA P06865 1/20 0.31
HEXB P07686 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
SCHEMBL6452645 1.00 SIGMAR1 (0.35) SIGMAR1DGAT1SOAT1HTR2CTEAD1
SCHEMBL6457327 0.91 ALDH1A1 (0.34) SIGMAR1DGAT1SOAT1HTR2CTEAD1
SCHEMBL6457320 0.91 ALDH1A1 (0.34) SIGMAR1DGAT1SOAT1HTR2CTEAD1
SCHEMBL6453216 0.89 SIGMAR1 (0.33) SIGMAR1DGAT1SOAT1HTR2CTEAD1
SCHEMBL6453207 0.89 SIGMAR1 (0.33) SIGMAR1DGAT1SOAT1HTR2CTEAD1
SCHEMBL6457872 0.88 GAA (0.34) SIGMAR1DGAT1SOAT1HTR2CTEAD1
SCHEMBL6457875 0.88 GAA (0.34) SIGMAR1DGAT1SOAT1HTR2CTEAD1
SCHEMBL6458285 0.88 PTGS2 (0.35)
SCHEMBL6458284 0.88 PTGS2 (0.35)
SCHEMBL6461154 0.87 GAA (0.36) SIGMAR1P2RY14GAA

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