SCHEMBL7735582

SCHEMBL7735582

CCCC[C@H]1CC[C@H](c2ccc(C(F)(F)Oc3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
KDM1A O60341 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
POLQ O75417 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
SCHEMBL7735584 1.00 CYP2C9 (0.32) CYP2C9KDM1AALDH1A1LMNAMAPT
SCHEMBL7722678 0.97 CYP2C9 (0.30) CYP2C9KDM1A
SCHEMBL7722680 0.97 CYP2C9 (0.30) CYP2C9KDM1A
SCHEMBL7722671 0.97 CYP2C9 (0.30) CYP2C9KDM1A
SCHEMBL7729290 0.97 CYP2C9 (0.31) CYP2C9KDM1AALDH1A1LMNAMAPT
SCHEMBL7729302 0.97 CYP2C9 (0.31) CYP2C9KDM1AALDH1A1LMNAMAPT
SCHEMBL12032115 0.95 KDM1A (0.32) KDM1A
SCHEMBL7735255 0.94
SCHEMBL7735249 0.94
SCHEMBL7735258 0.94

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