SCHEMBL6457327

SCHEMBL6457327

CCCC1CCC2CC(c3cc(F)c(-c4ccc(C(F)(F)F)cc4)c(F)c3)CCC2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
TEAD1 P28347 2/20 0.34
CYP2C9 P11712 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
HTR2C P28335 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR1 P21554 2/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
IDO1 P14902 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
MAPK11 Q15759 1/20 0.31

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
SCHEMBL6457320 1.00 ALDH1A1 (0.34) ALDH1A1LMNAMAPTSIGMAR1TEAD1
SCHEMBL6453216 0.94 SIGMAR1 (0.33) MAPTSIGMAR1TEAD1CYP2C9HTR2C
SCHEMBL6453207 0.94 SIGMAR1 (0.33) MAPTSIGMAR1TEAD1CYP2C9HTR2C
SCHEMBL6457875 0.93 GAA (0.34) MAPTSIGMAR1TEAD1HTR2CMEN1
SCHEMBL6457872 0.93 GAA (0.34) MAPTSIGMAR1TEAD1HTR2CMEN1
SCHEMBL6461154 0.92 GAA (0.36) MAPTSIGMAR1MEN1KMT2AP2RY14
SCHEMBL6461151 0.92 GAA (0.36) MAPTSIGMAR1MEN1KMT2AP2RY14
SCHEMBL6454054 0.92 GAA (0.36) MAPTSIGMAR1MEN1KMT2AP2RY14
SCHEMBL6454050 0.92 GAA (0.36) MAPTSIGMAR1MEN1KMT2AP2RY14
SCHEMBL6452645 0.91 SIGMAR1 (0.35) LMNASIGMAR1TEAD1HTR2CCNR1

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