SCHEMBL6452785

SCHEMBL6452785

CCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(CC)cc4)cc3)CC[C@@H]2C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.38
CYP2C9 P11712 1/20 0.35
SPHK2 Q9NRA0 7/20 0.34
MEN1 O00255 2/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL6452796 1.00 SPHK1 (0.38) SPHK1CYP2C9SPHK2MEN1MAPK1
SCHEMBL6460457 0.96 SPHK1 (0.40) SPHK1CYP2C9SPHK2MAPTRAB9A
SCHEMBL6460465 0.96 SPHK1 (0.40) SPHK1CYP2C9SPHK2MAPTRAB9A
SCHEMBL6452400 0.95 SPHK1 (0.42) SPHK1SPHK2MAPTGAA
SCHEMBL6458890 0.95 SPHK1 (0.42) SPHK1SPHK2MAPTGAA
SCHEMBL6452404 0.95 SPHK1 (0.42) SPHK1SPHK2MAPTGAA
SCHEMBL6458887 0.95 SPHK1 (0.42) SPHK1SPHK2MAPTGAA
SCHEMBL6451564 0.92 CYP2C9 (0.42) SPHK1CYP2C9SPHK2MEN1MAPK1
SCHEMBL11031734 0.92 SPHK1 (0.43) SPHK1CYP2C9SPHK2MEN1MAPK1
SCHEMBL6451560 0.92 CYP2C9 (0.42) SPHK1CYP2C9SPHK2MEN1MAPK1

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