SCHEMBL9337076

SCHEMBL9337076

CC1CCC(C2CCC(c3ccc(OC(F)(F)C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.45
EPHX2 P34913 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
MMP13 P45452 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2C P28335 2/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
KDM1A O60341 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL9337087 1.00 ESR2 (0.45) ESR2EPHX2HRH3MMP13L3MBTL1
SCHEMBL9337061 1.00 ESR2 (0.45) ESR2EPHX2HRH3MMP13L3MBTL1
SCHEMBL11271637 0.91 ESR2 (0.45) ESR2EPHX2HRH3MMP13L3MBTL1
SCHEMBL9338657 0.88 ESR2 (0.42) ESR2EPHX2HRH3MMP13L3MBTL1
SCHEMBL9979949 0.88 ESR2 (0.47) ESR2EPHX2HRH3L3MBTL1KDM1A
SCHEMBL15181143 0.85 ESR2 (0.45) ESR2EPHX2HRH3L3MBTL1HTR2C
SCHEMBL9336819 0.84 CYP2C9 (0.36) ESR2MMP13L3MBTL1KDM1ARCOR1
SCHEMBL9336810 0.84 CYP2C9 (0.36) ESR2MMP13L3MBTL1KDM1ARCOR1
SCHEMBL9337121 0.84 CYP2C9 (0.36) ESR2MMP13L3MBTL1KDM1ARCOR1
SCHEMBL14281234 0.84 ESR2 (0.44) ESR2EPHX2HRH3L3MBTL1HTR2C

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 1 patent. 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