SCHEMBL7729973

SCHEMBL7729973

CCC1CCC(c2ccc(C(F)(F)Oc3cc(F)c(OC(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

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
HTR2C P28335 2/20 0.31
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
KDM1A O60341 1/20 0.30
RCOR1 Q9UKL0 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
IDO1 P14902 1/20 0.30
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
SCHEMBL7729969 1.00 ALDH1A1 (0.33) ALDH1A1LMNAMAPTCYP2C9HTR2C
SCHEMBL7729469 0.97 ALDH1A1 (0.31) ALDH1A1LMNAMAPTCYP2C9
SCHEMBL7729477 0.97 ALDH1A1 (0.31) ALDH1A1LMNAMAPTCYP2C9
SCHEMBL7729459 0.97 ALDH1A1 (0.31) ALDH1A1LMNAMAPTCYP2C9
SCHEMBL7732542 0.92 ALDH1A1 (0.42) ALDH1A1LMNAMAPTCYP2C9HTR2C
SCHEMBL7732538 0.92 ALDH1A1 (0.42) ALDH1A1LMNAMAPTCYP2C9HTR2C
SCHEMBL7731484 0.90 ALDH1A1 (0.36) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7731492 0.90 ALDH1A1 (0.36) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7722755 0.89 ALDH1A1 (0.34) ALDH1A1LMNAMAPTCYP2C9HTR2C
SCHEMBL7722756 0.89 ALDH1A1 (0.34) ALDH1A1LMNAMAPTCYP2C9HTR2C

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