SCHEMBL6454487

SCHEMBL6454487

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 7/20 0.34
IDO1 P14902 1/20 0.32
SLC34A1 Q06495 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
LMNA P02545 1/20 0.30
PDE2A O00408 1/20 0.30
TRPV3 Q8NET8 1/20 0.30

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
SCHEMBL6454491 1.00 MAT2A (0.34) MAT2AIDO1SLC34A1MEN1KMT2A
SCHEMBL6452484 0.92 MAT2A (0.33) MAT2AIDO1SLC34A1
SCHEMBL6452481 0.92 MAT2A (0.33) MAT2AIDO1SLC34A1
SCHEMBL6453696 0.90 MAT2A (0.32) MAT2AIDO1
SCHEMBL6453689 0.90 MAT2A (0.32) MAT2AIDO1
SCHEMBL6459307 0.89 MAT2A (0.32) MAT2A
SCHEMBL6459313 0.89 MAT2A (0.32) MAT2A
SCHEMBL6453909 0.88 MAT2A (0.31) MAT2A
SCHEMBL6460979 0.88 MAT2A (0.31) MAT2A
SCHEMBL6453903 0.88 MAT2A (0.31) MAT2A

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