SCHEMBL7722591

SCHEMBL7722591

CCCC1CCC(c2ccc(C(F)(F)Oc3ccc(OC(F)(F)F)cc3)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
KDM1A O60341 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
LIPE Q05469 1/20 0.33
GCGR P47871 1/20 0.33
EPHX2 P34913 1/20 0.32
TSHR P16473 1/20 0.32
MMP12 P39900 2/20 0.32
KDM2B Q8NHM5 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
PDE2A O00408 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
SCHEMBL7722595 1.00 CYP2C9 (0.39) CYP2C9KDM1AALDH1A1LMNAMAPT
SCHEMBL7733405 0.93 KDM1A (0.36) CYP2C9KDM1AALDH1A1LMNAMAPT
SCHEMBL7733412 0.93 KDM1A (0.36) CYP2C9KDM1AALDH1A1LMNAMAPT
SCHEMBL7732533 0.92 KDM1A (0.36) CYP2C9KDM1AALDH1A1LMNAMAPT
SCHEMBL7732537 0.92 KDM1A (0.36) CYP2C9KDM1AALDH1A1LMNAMAPT
SCHEMBL7731628 0.92 KDM1A (0.38) KDM1ARCOR1EPHX2TSHRMMP12
SCHEMBL7731634 0.92 KDM1A (0.38) KDM1ARCOR1EPHX2TSHRMMP12
SCHEMBL7732565 0.91 KDM1A (0.35) CYP2C9KDM1AALDH1A1LMNAMAPT
SCHEMBL7732572 0.91 KDM1A (0.35) CYP2C9KDM1AALDH1A1LMNAMAPT
SCHEMBL7735501 0.91 KDM1A (0.35) CYP2C9KDM1AALDH1A1LMNAMAPT

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
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed