SCHEMBL6453689

SCHEMBL6453689

CCCCC1CC[C@@H]2C[C@H](c3cc(F)c(-c4ccc(OC(F)F)cc4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 5/20 0.32
RAB9A P51151 1/20 0.31
IDO1 P14902 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
SCHEMBL6453696 1.00 MAT2A (0.32) MAT2ARAB9AIDO1
SCHEMBL6459313 0.97 MAT2A (0.32) MAT2ARAB9A
SCHEMBL6459307 0.97 MAT2A (0.32) MAT2ARAB9A
SCHEMBL6453903 0.96 MAT2A (0.31) MAT2ARAB9A
SCHEMBL6460979 0.96 MAT2A (0.31) MAT2ARAB9A
SCHEMBL6453909 0.96 MAT2A (0.31) MAT2ARAB9A
SCHEMBL6460983 0.96 MAT2A (0.31) MAT2ARAB9A
SCHEMBL6452481 0.94 MAT2A (0.33) MAT2AIDO1
SCHEMBL6452484 0.94 MAT2A (0.33) MAT2AIDO1
SCHEMBL6454491 0.90 MAT2A (0.34) MAT2AIDO1

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