SCHEMBL6558027

SCHEMBL6558027

CCC[C@H]1CC[C@H](c2ccc(B(O)O)c(F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
ESR2 Q92731 3/20 0.39
ESR1 P03372 1/20 0.34
CYP3A4 P08684 1/20 0.34
DRD2 P14416 3/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
SLC6A4 P31645 1/20 0.33
PANK3 Q9H999 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 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
SCHEMBL2392780 1.00 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL30400657 1.00 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8222402 0.99 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8222400 0.99 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8222398 0.99 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL1754931 0.96 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL28382459 0.92 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL28366793 0.91 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL30309465 0.91 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2396830 0.91 CYP2C9 (0.40) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8176033-A None JP disclosed
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
US-6159393-A Benzene derivatives and liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-12-12 US disclosed
EP-0775101-B1 BENZENE DERIVATIVES AND LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2000-05-03 EP disclosed
EP-0775101-A1 BENZENE DERIVATIVES AND LIQUID CRYSTAL MEDIUM MERCK PATENT GmbH (DE) 1997-05-28 EP disclosed
JP-H08176033-A BENZENE DERIVATIVE MERCK PATENT GMBH 1996-07-09 JP disclosed
WO-1996005159-A1 BENZENE DERIVATIVES AND LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 1996-02-22 WO disclosed