SCHEMBL6454740

SCHEMBL6454740

CCCC1CCC2CC(c3ccc(C#Cc4ccc(OC(F)(F)F)cc4)cc3)CCC2C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
MAPK1 P28482 1/20 0.36
ACACB O00763 2/20 0.35
EPHX2 P34913 3/20 0.34
RAB9A P51151 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LIPE Q05469 1/20 0.32
GCGR P47871 1/20 0.32
TSHR P16473 1/20 0.31
KDM2B Q8NHM5 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
SCHEMBL6454739 1.00 CYP2C9 (0.38) CYP2C9MEN1KMT2AALDH1A1LMNA
SCHEMBL6456850 0.94 RAB9A (0.37) CYP2C9MEN1KMT2AALDH1A1LMNA
SCHEMBL6456846 0.94 RAB9A (0.37) CYP2C9MEN1KMT2AALDH1A1LMNA
SCHEMBL6451784 0.93 CYP2C9 (0.42) CYP2C9MEN1KMT2AALDH1A1LMNA
SCHEMBL6451779 0.93 CYP2C9 (0.42) CYP2C9MEN1KMT2AALDH1A1LMNA
SCHEMBL6451829 0.93 RAB9A (0.36) CYP2C9MEN1KMT2AMAPTKDM1A
SCHEMBL6451822 0.93 RAB9A (0.36) CYP2C9MEN1KMT2AMAPTKDM1A
SCHEMBL6454905 0.92 RAB9A (0.36) MAPTKDM1ARCOR1ACACBEPHX2
SCHEMBL6454908 0.92 RAB9A (0.36) MAPTKDM1ARCOR1ACACBEPHX2
SCHEMBL6451532 0.92 RAB9A (0.36) MAPTKDM1ARCOR1ACACBEPHX2

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