SCHEMBL19720372

SCHEMBL19720372

Fc1ccc(-c2ccc(CCC3CCCCC3)cc2F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BRS3 P32247 2/20 0.35
DAO P14920 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CHKA P35790 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
FAAH O00519 1/20 0.35
PTGS2 P35354 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PGR P06401 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL16191333 0.88 ALDH1A1 (0.46) ALDH1A1HTTMEN1KMT2ADAO
SCHEMBL19883166 0.88 RORC (0.36) RORCBRS3DAOCHKACYP3A4
SCHEMBL19720334 0.87 RORC (0.36) RORCBRS3DAOCHKACYP3A4
SCHEMBL8771425 0.86 SLC6A2 (0.36) PDE3BPDE3ACHKASLC6A2SLC6A4
SCHEMBL8771431 0.86 SLC6A2 (0.36) PDE3BPDE3ACHKASLC6A2SLC6A4
SCHEMBL13345624 0.86 GPR84 (0.34) PDE3BPDE3ACHKASLC6A2SLC6A4
SCHEMBL19720358 0.85 CYP17A1 (0.44) ALDH1A1HTTBRS3DAOPGR
SCHEMBL7770075 0.83 RARB (0.41) RORCPDE3BPDE3ACHKACYP3A4
SCHEMBL7770077 0.83 RARB (0.41) RORCPDE3BPDE3ACHKACYP3A4
SCHEMBL4804507 0.83 SLC6A2 (0.34) PDE3BPDE3ACHKASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3985085-A2 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2022-04-20 EP disclosed
EP-3666853-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2021-06-16 EP disclosed
EP-3666853-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2020-06-17 EP disclosed
EP-3327102-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2020-04-15 EP disclosed
EP-3327102-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY Merck Patent GmbH (DE) 2018-05-30 EP disclosed
EP-2855630-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2017-12-20 EP disclosed