SCHEMBL6457466

SCHEMBL6457466

CCCCCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OC(F)F)c(F)c4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.33
ESR1 P03372 2/20 0.31
FASN P49327 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
SCHEMBL6453629 1.00 MGLL (0.33) MGLLESR1FASN
SCHEMBL6457472 1.00 MGLL (0.33) MGLLESR1FASN
SCHEMBL6453633 1.00 MGLL (0.33) MGLLESR1FASN
SCHEMBL6454641 0.99 MGLL (0.32) MGLLESR1FASN
SCHEMBL6454644 0.99 MGLL (0.32) MGLLESR1FASN
SCHEMBL6453848 0.96 ESR1 (0.32) MGLLESR1FASN
SCHEMBL6453845 0.96 ESR1 (0.32) MGLLESR1FASN
SCHEMBL6452178 0.93 FASN (0.33) ESR1FASN
SCHEMBL6452183 0.93 FASN (0.33) ESR1FASN
SCHEMBL6450920 0.91 MGLL (0.39) MGLLFASN

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