SCHEMBL6452998

SCHEMBL6452998

CCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OC(F)(F)C(F)F)cc4)cc3)CC[C@@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31
EPHX2 P34913 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
FASN P49327 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
SCHEMBL6453009 1.00 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6453257 0.94 RAB9A (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6453261 0.94 RAB9A (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6453872 0.93 RAB9A (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6453867 0.93 RAB9A (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6450944 0.92 GAA (0.36) CYP2C9MAPTRAB9AEPHX2
SCHEMBL6457968 0.92 GAA (0.36) CYP2C9MAPTRAB9AEPHX2
SCHEMBL6457970 0.92 GAA (0.36) CYP2C9MAPTRAB9AEPHX2
SCHEMBL6450953 0.92 GAA (0.36) CYP2C9MAPTRAB9AEPHX2
SCHEMBL6458359 0.91 TRPV1 (0.33) RAB9ATRPV1L3MBTL1MMP13MMP14

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