SCHEMBL6454996

SCHEMBL6454996

CCCCCC1CC[C@@H]2C[C@H](c3ccc(C#Cc4ccc(F)c(F)c4)cc3)CC[C@@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP2C9 P11712 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
SCHEMBL6454998 1.00 RAB9A (0.31) RAB9ASPHK1MEN1KMT2ACYP2C9
SCHEMBL6457915 0.99 SPHK1 (0.32) RAB9ASPHK1
SCHEMBL6454415 0.99 SPHK1 (0.32) RAB9ASPHK1
SCHEMBL6457911 0.99 SPHK1 (0.32) RAB9ASPHK1
SCHEMBL6454419 0.99 SPHK1 (0.32) RAB9ASPHK1
SCHEMBL6456344 0.97 RAB9A (0.32) RAB9ACYP2C9
SCHEMBL6456338 0.97 RAB9A (0.32) RAB9ACYP2C9
SCHEMBL6452254 0.92 CYP2C9 (0.36) MEN1KMT2ACYP2C9
SCHEMBL6452259 0.92 CYP2C9 (0.36) MEN1KMT2ACYP2C9
SCHEMBL6451460 0.91 RAB9A (0.31) RAB9ASPHK1MEN1KMT2ACYP2C9

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