SCHEMBL6457872

SCHEMBL6457872

CCCCCC1CC[C@@H]2C[C@H](c3cc(F)c(-c4ccc(C(F)(F)F)cc4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
LSS P48449 5/20 0.33
SIGMAR1 Q99720 1/20 0.32
P2RY14 Q15391 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TEAD1 P28347 2/20 0.30
HTR2C P28335 1/20 0.30
CNR2 P34972 2/20 0.30
TLR8 Q9NR97 1/20 0.30
CNR1 P21554 1/20 0.30
DGAT1 O75907 1/20 0.30
SOAT1 P35610 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
SCHEMBL6457875 1.00 GAA (0.34) GAAMAPTLSSSIGMAR1P2RY14
SCHEMBL6454050 0.99 GAA (0.36) GAAMAPTLSSSIGMAR1P2RY14
SCHEMBL6461154 0.99 GAA (0.36) GAAMAPTLSSSIGMAR1P2RY14
SCHEMBL6461151 0.99 GAA (0.36) GAAMAPTLSSSIGMAR1P2RY14
SCHEMBL6454054 0.99 GAA (0.36) GAAMAPTLSSSIGMAR1P2RY14
SCHEMBL6453216 0.97 SIGMAR1 (0.33) GAAMAPTLSSSIGMAR1P2RY14
SCHEMBL6453207 0.97 SIGMAR1 (0.33) GAAMAPTLSSSIGMAR1P2RY14
SCHEMBL6457320 0.93 ALDH1A1 (0.34) MAPTSIGMAR1P2RY14MEN1KMT2A
SCHEMBL6457327 0.93 ALDH1A1 (0.34) MAPTSIGMAR1P2RY14MEN1KMT2A
SCHEMBL6464249 0.89 PTGS1 (0.35) GAAMAPTMEN1KMT2A

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