SCHEMBL7729982

SCHEMBL7729982

CCCCCC1CCC(c2ccc(C(F)(F)Oc3cc(F)c(OC(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.34
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SPHK1 Q9NYA1 3/20 0.32
GAA P10253 1/20 0.31
CNR2 P34972 6/20 0.31
DPP4 P27487 2/20 0.31
ESR2 Q92731 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
SCHEMBL7729978 1.00 MAPT (0.35) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7729362 0.97 ALDH1A1 (0.33) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7729372 0.97 ALDH1A1 (0.33) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7729367 0.97 ALDH1A1 (0.33) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7731492 0.97 ALDH1A1 (0.36) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7731484 0.97 ALDH1A1 (0.36) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7731416 0.94 ALDH1A1 (0.34) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7731397 0.94 ALDH1A1 (0.34) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7731406 0.94 ALDH1A1 (0.34) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7732542 0.92 ALDH1A1 (0.42) MAPTALDH1A1LMNACYP2C9MEN1

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 6 patents. 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
EP-0786508-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2001-01-17 EP disclosed
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
US-5728319-A Liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 1998-03-17 US disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed
EP-0786508-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1997-07-30 EP disclosed