SCHEMBL6452432

SCHEMBL6452432

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 2/20 0.37
LIPE Q05469 4/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
NLRP3 Q96P20 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL6452439 1.00 CACNA1G (0.38) CACNA1GCACNA1HCACNA1ICYP2C9ALDH1A1
SCHEMBL6458218 0.93 RAB9A (0.40) CACNA1GCACNA1HCACNA1ICYP2C9ALDH1A1
SCHEMBL6458220 0.93 RAB9A (0.40) CACNA1GCACNA1HCACNA1ICYP2C9ALDH1A1
SCHEMBL6455710 0.92 RAB9A (0.39) CACNA1GCACNA1HCACNA1ICYP2C9MAPT
SCHEMBL6455702 0.92 RAB9A (0.39) CACNA1GCACNA1HCACNA1ICYP2C9MAPT
SCHEMBL6458389 0.91 RAB9A (0.39) CACNA1GCACNA1HCACNA1IMAPTRAB9A
SCHEMBL6458412 0.91 RAB9A (0.39) CACNA1GCACNA1HCACNA1IMAPTRAB9A
SCHEMBL6458396 0.91 RAB9A (0.39) CACNA1GCACNA1HCACNA1IMAPTRAB9A
SCHEMBL6458408 0.91 RAB9A (0.39) CACNA1GCACNA1HCACNA1IMAPTRAB9A
SCHEMBL6453648 0.91 CACNA1G (0.37) CACNA1GCACNA1HCACNA1ICYP2C9LMNA

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