SCHEMBL6453741

SCHEMBL6453741

CCCCCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(C5=NC(C)(C)CO5)c(F)c4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.31
FASN P49327 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
SCHEMBL6452664 1.00 MAPT (0.33) MAPTLMNAHTTGAAFASN
SCHEMBL6452659 1.00 MAPT (0.33) MAPTLMNAHTTGAAFASN
SCHEMBL6453745 1.00 MAPT (0.33) MAPTLMNAHTTGAAFASN
SCHEMBL6459909 0.99 LMNA (0.33) MAPTLMNAHTTFASN
SCHEMBL6459915 0.99 LMNA (0.33) MAPTLMNAHTTFASN
SCHEMBL6455501 0.97 LMNA (0.34) MAPTLMNAHTTFASN
SCHEMBL6455506 0.97 LMNA (0.34) MAPTLMNAHTTFASN
SCHEMBL6455353 0.94 MAPT (0.35) MAPTLMNAHTTGAAFASN
SCHEMBL6453085 0.94 MAPT (0.33) MAPTLMNAHTTGAA
SCHEMBL6456489 0.94 MAPT (0.35) MAPTLMNAHTTGAAFASN

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