SCHEMBL6464462

SCHEMBL6464462

CCC[C@H]1CC[C@H]([C@@H]2CC[C@@H]3C[C@H](c4ccc(OC(F)F)cc4)CC[C@@H]3C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
IDO1 P14902 1/20 0.39
TLR4 O00206 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
ESR2 Q92731 1/20 0.32
CNR2 P34972 2/20 0.32
DRD2 P14416 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
SCHEMBL6464465 1.00 CYP2C9 (0.41) CYP2C9MEN1KMT2AMAPTALDH1A1
SCHEMBL6460797 0.94 IDO1 (0.40) CYP2C9MEN1KMT2AMAPTALDH1A1
SCHEMBL6460795 0.94 IDO1 (0.40) CYP2C9MEN1KMT2AMAPTALDH1A1
SCHEMBL7513854 0.92 CYP2C9 (0.48) CYP2C9MEN1KMT2AMAPTALDH1A1
SCHEMBL8095280 0.92 CYP2C9 (0.48) CYP2C9MEN1KMT2AMAPTALDH1A1
SCHEMBL8095275 0.92 CYP2C9 (0.48) CYP2C9MEN1KMT2AMAPTALDH1A1
SCHEMBL6458440 0.90 IDO1 (0.38) CYP2C9MEN1KMT2AMAPTALDH1A1
SCHEMBL6458445 0.90 IDO1 (0.38) CYP2C9MEN1KMT2AMAPTALDH1A1
SCHEMBL9060201 0.88 CYP2C9 (0.51) CYP2C9MEN1KMT2AMAPTALDH1A1
SCHEMBL4801614 0.88 CYP2C9 (0.51) CYP2C9MEN1KMT2AMAPTALDH1A1

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