SCHEMBL6451779

SCHEMBL6451779

CCC[C@@H]1CC[C@@H]2C[C@H](c3ccc(OC(F)(F)F)cc3)CC[C@@H]2C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM1A O60341 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
MAPK1 P28482 1/20 0.40
EPHX2 P34913 4/20 0.38
HRH3 Q9Y5N1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LIPE Q05469 1/20 0.35
RAB9A P51151 1/20 0.35
GCGR P47871 1/20 0.35
TSHR P16473 1/20 0.35
KDM2B Q8NHM5 1/20 0.34
FASN P49327 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
SCHEMBL6451784 1.00 CYP2C9 (0.42) CYP2C9MEN1KMT2AKDM1AALDH1A1
SCHEMBL6450978 0.96 CYP2C9 (0.40) CYP2C9MEN1KMT2AKDM1AALDH1A1
SCHEMBL6450975 0.96 CYP2C9 (0.40) CYP2C9MEN1KMT2AKDM1AALDH1A1
SCHEMBL12032009 0.95 CYP2C9 (0.45) CYP2C9MEN1KMT2AKDM1AALDH1A1
SCHEMBL6452602 0.95 CYP2C9 (0.42) CYP2C9MEN1KMT2AKDM1AALDH1A1
SCHEMBL6452606 0.95 CYP2C9 (0.42) CYP2C9MEN1KMT2AKDM1AALDH1A1
SCHEMBL5686761 0.94 MEN1 (0.41) CYP2C9MEN1KMT2AKDM1AALDH1A1
SCHEMBL5686765 0.94 MEN1 (0.41) CYP2C9MEN1KMT2AKDM1AALDH1A1
SCHEMBL6454740 0.93 CYP2C9 (0.38) CYP2C9MEN1KMT2AKDM1AALDH1A1
SCHEMBL6454739 0.93 CYP2C9 (0.38) CYP2C9MEN1KMT2AKDM1AALDH1A1

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