SCHEMBL6458244

SCHEMBL6458244

CCCCCCC1CCC2CC(c3ccccc3)CCC2C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.41
DRD2 P14416 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6458242 1.00 CFTR (0.41) CFTRDRD2MEN1ALDH1A1LMNA
SCHEMBL11029701 1.00 CFTR (0.41) CFTRDRD2MEN1ALDH1A1LMNA
SCHEMBL6458082 1.00 CFTR (0.41) CFTRDRD2MEN1ALDH1A1LMNA
SCHEMBL6458084 1.00 CFTR (0.41) CFTRDRD2MEN1ALDH1A1LMNA
SCHEMBL11030592 0.99 CFTR (0.39) CFTRDRD2
SCHEMBL6456109 0.99 CFTR (0.39) CFTRDRD2
SCHEMBL6453962 0.99 CFTR (0.39) CFTRDRD2
SCHEMBL6453957 0.99 CFTR (0.39) CFTRDRD2
SCHEMBL6451911 0.94 DRD2 (0.40) DRD2MEN1KMT2AGAAMAPT
SCHEMBL6451908 0.94 DRD2 (0.40) DRD2MEN1KMT2AGAAMAPT

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