SCHEMBL17175207

SCHEMBL17175207

CCCC1CCC(C2CCC(c3ccc(-c4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.32
FASN P49327 1/20 0.32
GRM2 Q14416 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
SCHEMBL17175208 0.94 CYP2C9 (0.31) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17175209 0.93 GAA (0.32) CYP2C9MAPTCYP3A4FASN
SCHEMBL17175206 0.92 CYP3A4 (0.32) CYP2C9CYP3A4FASNGRM2
SCHEMBL6460074 0.92 CYP2C9 (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6460071 0.92 CYP2C9 (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL14539779 0.90 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL22448871 0.89 CYP2C9 (0.31) CYP2C9
SCHEMBL17050135 0.89 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19415111 0.89 FFAR4 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8834024 0.88 CYP2C9 (0.33) 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
EP-3331965-B1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2022-01-05 EP disclosed
EP-3127989-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-12-23 EP disclosed
US-20180223187-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
US-20170037315-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-02-09 US disclosed
US-20170037315-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-02-09 US disclosed
WO-2017020998-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2017-02-09 WO disclosed
US-20150291881-A1 FLUOROBIPHENYL-CONTAINING COMPOSITION DIC CORPORATION (JP) 2015-10-15 US disclosed
US-20150291881-A1 FLUOROBIPHENYL-CONTAINING COMPOSITION DIC CORPORATION (JP) 2015-10-15 US disclosed