SCHEMBL7729290

SCHEMBL7729290

CCCCC[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 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.31
KDM1A O60341 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
MAPT P10636 2/20 0.30
GAA P10253 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
S1PR1 P21453 1/20 0.30
SGPL1 O95470 1/20 0.30
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
SCHEMBL7729302 1.00 CYP2C9 (0.31) CYP2C9KDM1ASPHK1MAPTGAA
SCHEMBL7735249 0.97
SCHEMBL7735255 0.97
SCHEMBL7735258 0.97
SCHEMBL7735582 0.97 CYP2C9 (0.32) CYP2C9KDM1AMAPTALDH1A1LMNA
SCHEMBL7735584 0.97 CYP2C9 (0.32) CYP2C9KDM1AMAPTALDH1A1LMNA
SCHEMBL18032290 0.94
SCHEMBL7722671 0.94 CYP2C9 (0.30) CYP2C9KDM1A
SCHEMBL7722678 0.94 CYP2C9 (0.30) CYP2C9KDM1A
SCHEMBL7722680 0.94 CYP2C9 (0.30) CYP2C9KDM1A

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