SCHEMBL6558049

SCHEMBL6558049

CCC[C@H]1CC[C@H](c2ccccc2B(O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRL1 P41146 7/20 0.37
LIPG Q9Y5X9 1/20 0.37
DRD2 P14416 2/20 0.36
SLC6A4 P31645 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRK1 P41145 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6047977 1.00 CYP2C9 (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8827793 0.89 LIPG (0.44) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL28589222 0.89 LIPG (0.44) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL29469211 0.84 ENPP2 (0.40) MEN1KMT2ALIPGDRD2SLC6A4
SCHEMBL3784784 0.84 ENPP2 (0.40) MEN1KMT2ALIPGDRD2SLC6A4
SCHEMBL2866245 0.82 CYP2C9 (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL1680067 0.80 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL1119886 0.80 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9639405 0.80 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL4650755 0.80 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1223209-B1 Fluorinated fluorenes and use thereof in liquid crystal mixtures CLARIANT INT LTD (CH) 2004-03-03 EP disclosed
EP-1223209-A1 Fluorinated fluorenes and use thereof in liquid crystal mixtures CLARIANT INTERNATIONAL LTD. (CH) 2002-07-17 EP disclosed