SCHEMBL8103002

SCHEMBL8103002

CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.47
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
KDM1A O60341 1/20 0.40

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
SCHEMBL8103006 1.00 KIF11 (0.47) KIF11CYP2C9ALDH1A1LMNAMAPT
SCHEMBL12032029 0.94 KIF11 (0.44) KIF11CYP2C9ALDH1A1LMNAMAPT
SCHEMBL12032265 0.94 KIF11 (0.44) KIF11CYP2C9ALDH1A1LMNAMAPT
SCHEMBL12032250 0.92 KIF11 (0.40) KIF11CYP2C9ALDH1A1LMNAMAPT
SCHEMBL15744295 0.91 CYP2C9 (0.45) KIF11CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9074856 0.91 CYP2C9 (0.45) KIF11CYP2C9ALDH1A1LMNAMAPT
SCHEMBL14526002 0.90 KIF11 (0.40) KIF11CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6454469 0.90 KIF11 (0.40) KIF11CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6454471 0.90 KIF11 (0.40) KIF11CYP2C9ALDH1A1LMNAMAPT
SCHEMBL13002327 0.89 KDM1A (0.48) KIF11CYP2C9ALDH1A1LMNAMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628532-B1 Fluorobenzole derivatives and mesomorphous medium MERCK PATENT GMBH (DE) 2000-01-19 EP disclosed
US-5641429-A STABLE COMPOUNDS HAVING LOW VISCOSITY AND HIGH DIELECTRIC ANISOTROPY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-06-24 US disclosed
US-5536442-A ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-16 US disclosed
US-5487845-A ELECTROOPTICAL DISPLAY ELEMENTS; CHEMICAL, HEAT AND LIGHT STABILITY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-01-30 US disclosed
EP-0441932-B1 FLUOROBENZOLE DERIVATIVES AND MESOMORPHOUS MEDIUM MERCK PATENT GMBH (DE) 1995-03-15 EP disclosed
EP-0628532-A1 Fluorobenzole derivatives and mesomorphous medium MERCK PATENT GmbH (DE) 1994-12-14 EP disclosed
EP-0441932-A1 FLUOROBENZOLE DERIVATIVES AND MESOMORPHOUS MEDIUM. MERCK PATENT GMBH (DE) 1991-08-21 EP disclosed
WO-1991003450-A1 FLUOROBENZOLE DERIVATIVES AND MESOMORPHOUS MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-03-21 WO disclosed