SCHEMBL19985585

SCHEMBL19985585

C=CCCOc1ccc(-c2ccc(C3CCC(C)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALOX5AP P20292 5/20 0.31
FEN1 P39748 5/20 0.31
FPR2 P25090 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 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
SCHEMBL12733641 0.95 KDM4E (0.36) KDM4EALDH1A1MAPK1
SCHEMBL30093781 0.92 KDM4E (0.34) KDM4EALDH1A1MAPK1
SCHEMBL12140874 0.92 KDM4E (0.34) KDM4EALDH1A1MAPK1
SCHEMBL12733654 0.90 KDM4E (0.38) KDM4EALDH1A1MAPK1
SCHEMBL13000129 0.90 KDM4E (0.34) KDM4EALOX5APFEN1ALDH1A1MAPK1
SCHEMBL12736301 0.89 FEN1 (0.35) KDM4EALOX5APFEN1
SCHEMBL12740836 0.89 FEN1 (0.35) KDM4EALOX5APFEN1
SCHEMBL12740631 0.88 SCN9A (0.40) KDM4EALOX5APFEN1
SCHEMBL19985591 0.88 FPR2 (0.32) ALOX5APFEN1FPR2
SCHEMBL12735802 0.88 SCN9A (0.40) KDM4EALOX5APFEN1

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
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed