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SCHEMBL5684222

SCHEMBL5684222

CCC[C@@H]1CC[C@H]2[C@H](CC[C@H]3CC(c4cc(F)c(OC(F)(F)F)c(F)c4)CC[C@@H]32)C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL5684228 1.00 MEN1 (0.32) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL6452555 0.94 CYP2C9 (0.33) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL6452549 0.94 CYP2C9 (0.33) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL6451224 0.90 TLR4 (0.34) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL6451220 0.90 TLR4 (0.34) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL12028507 0.87 CYP2C9 (0.38) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL14526193 0.86 MEN1 (0.31) MEN1KMT2AMAPT
SCHEMBL5684456 0.86 — —
SCHEMBL5684451 0.86 — —
SCHEMBL5687520 0.86 — —

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 3 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-B1 FUSED RING COMPOUND DAINIPPON INK & CHEMICALS (JP) 2006-03-29 — — EP disclosed
EP-1201632-A1 FUSED RING COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-02 — — EP disclosed