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SCHEMBL7729372

SCHEMBL7729372

CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SPHK1 Q9NYA1 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
SCHEMBL7729367 1.00 ALDH1A1 (0.33) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7729362 1.00 ALDH1A1 (0.33) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7731397 0.97 ALDH1A1 (0.34) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7731416 0.97 ALDH1A1 (0.34) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7731406 0.97 ALDH1A1 (0.34) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7729982 0.97 MAPT (0.35) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7729978 0.97 MAPT (0.35) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7731492 0.94 ALDH1A1 (0.36) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7731484 0.94 ALDH1A1 (0.36) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7729285 0.93 ALDH1A1 (0.40) ALDH1A1LMNAMAPTCYP2C9MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 — — EP disclosed