SCHEMBL7735146

SCHEMBL7735146

CCC[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 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM1A O60341 1/20 0.33
POLQ O75417 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 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
SCHEMBL7735152 1.00 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7728753 0.97 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7728760 0.97 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7728756 0.97 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7735582 0.94 CYP2C9 (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7735584 0.94 CYP2C9 (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7729290 0.93 CYP2C9 (0.31) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7729302 0.93 CYP2C9 (0.31) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7722596 0.92 KDM1A (0.33) KDM1APOLQHTR2A
SCHEMBL7722601 0.92 KDM1A (0.33) KDM1APOLQHTR2A

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