SCHEMBL9340958

SCHEMBL9340958

CC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(OC(F)(F)C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.40
ESR2 Q92731 8/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
DRD2 P14416 2/20 0.35
ESR1 P03372 6/20 0.34
CYP3A4 P08684 2/20 0.34
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL11280109 0.93 CYP2C9 (0.36) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL9337121 0.93 CYP2C9 (0.36) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL9336819 0.93 CYP2C9 (0.36) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL9336810 0.93 CYP2C9 (0.36) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL9336914 0.91 CYP2C9 (0.49) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL9340699 0.89 CYP2C9 (0.41) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL9338657 0.89 ESR2 (0.42) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL9340281 0.88 CYP2C9 (0.40) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL9341027 0.87 SPHK1 (0.40) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL10595603 0.87 SPHK1 (0.40) CYP2C9ESR2ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5348677-A Electro-optical liquid crystal display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-20 US disclosed
US-5196140-A ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-03-23 US disclosed
EP-0313604-A1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT. MERCK PATENT GMBH (DE) 1989-05-03 EP disclosed
WO-1988008441-A1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-11-03 WO disclosed