SCHEMBL19985590

SCHEMBL19985590

C/C=C/COc1ccc(-c2ccc(C3CCC(CC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
FPR2 P25090 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL19985597 0.92 HTR1A (0.32) HTR1ACTSLCTSSCTSKFPR2
SCHEMBL19985269 0.92
SCHEMBL19985600 0.89 MEN1 (0.32) HTR1ACTSLCTSSCTSK
SCHEMBL19985583 0.88 ALOX5AP (0.32) HTR1ACTSLCTSSCTSKALOX5AP
SCHEMBL19985608 0.88 GAA (0.32) HTR1ACTSLCTSSCTSK
SCHEMBL19985614 0.87 GAA (0.34) HTR1A
SCHEMBL19985618 0.87 GAA (0.34) HTR1A
SCHEMBL19985623 0.87 GAA (0.34) HTR1A
SCHEMBL19985588 0.87 HTR2C (0.39) HTR1ACTSLCTSSCTSKFPR2
SCHEMBL19986386 0.87 PTGDR2 (0.36) ALOX5APFEN1

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