SCHEMBL9338657

SCHEMBL9338657

C[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 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.42
CYP2C9 P11712 3/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
ESR1 P03372 4/20 0.34
CYP3A4 P08684 2/20 0.34
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
EPHX2 P34913 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 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
SCHEMBL9336914 0.89 CYP2C9 (0.49) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9340958 0.89 CYP2C9 (0.40) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9337087 0.88 ESR2 (0.45) ESR2MEN1KMT2AHRH3CACNA1G
SCHEMBL9337061 0.88 ESR2 (0.45) ESR2MEN1KMT2AHRH3CACNA1G
SCHEMBL9337076 0.88 ESR2 (0.45) ESR2MEN1KMT2AHRH3CACNA1G
SCHEMBL11271637 0.88 ESR2 (0.45) ESR2HRH3CACNA1GCACNA1HCACNA1I
SCHEMBL9340699 0.86 CYP2C9 (0.41) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9340281 0.85 CYP2C9 (0.40) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL10595603 0.84 SPHK1 (0.40) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9341027 0.84 SPHK1 (0.40) ESR2CYP2C9ALDH1A1LMNAMAPT

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