SCHEMBL6455249

SCHEMBL6455249

CCCCC1CC[C@@H]2C[C@H](c3ccc(C#Cc4ccc(CC)cc4)cc3)CC[C@@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.36
RAB9A P51151 1/20 0.34
CYP2C9 P11712 1/20 0.33
SPHK2 Q9NRA0 7/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 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
SCHEMBL6455254 1.00 SPHK1 (0.36) SPHK1RAB9ACYP2C9SPHK2ALDH1A1
SCHEMBL6453343 0.96 SPHK1 (0.38) SPHK1RAB9ACYP2C9SPHK2MEN1
SCHEMBL6453349 0.96 SPHK1 (0.38) SPHK1RAB9ACYP2C9SPHK2MEN1
SCHEMBL6452896 0.95 SPHK1 (0.40) SPHK1RAB9ASPHK2MAPT
SCHEMBL6457732 0.95 SPHK1 (0.40) SPHK1RAB9ASPHK2MAPT
SCHEMBL6457734 0.95 SPHK1 (0.40) SPHK1RAB9ASPHK2MAPT
SCHEMBL6452900 0.95 SPHK1 (0.40) SPHK1RAB9ASPHK2MAPT
SCHEMBL6452941 0.93 CYP2C9 (0.39) SPHK1RAB9ACYP2C9ALDH1A1LMNA
SCHEMBL6452934 0.93 CYP2C9 (0.39) SPHK1RAB9ACYP2C9ALDH1A1LMNA
SCHEMBL6455100 0.92 SPHK1 (0.40) SPHK1RAB9ASPHK2

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