SCHEMBL5884757

SCHEMBL5884757

CCC[C@@H]1CC[C@H]2C(CCC3CC(c4cc(F)c(F)c(F)c4)CCC32)C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 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
SCHEMBL5684737 1.00 MEN1 (0.34) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL5884762 1.00 MEN1 (0.34) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL6454556 0.93 CYP2C9 (0.35) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL6454553 0.93 CYP2C9 (0.35) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL6460414 0.93 CYP2C9 (0.35) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL5683674 0.90 MEN1 (0.33) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL5683676 0.90 MEN1 (0.33) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL5683761 0.88 MEN1 (0.35) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL5683765 0.88 MEN1 (0.35) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL12032012 0.87 CYP2C9 (0.38) MEN1MAPK1KMT2ACYP2C9ALDH1A1

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-7067179-B1 Fused ring compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-06-27 US disclosed
EP-1201632-A1 FUSED RING COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-02 EP disclosed