SCHEMBL19197846

SCHEMBL19197846

C/C=C/CCc1ccc(-c2ccc(CO)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 5/20 0.39
CECR2 Q9BXF3 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
HDAC2 Q92769 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
FFAR1 O14842 1/20 0.36
ERN1 O75460 2/20 0.36
CHKA P35790 1/20 0.35
KIF11 P52732 1/20 0.35
TSHR P16473 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
PTGS2 P35354 1/20 0.33
RARB P10826 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
SCHEMBL10009929 0.90 HRH3 (0.43) GPR52HDAC2HRH3FFAR1RXRA
SCHEMBL14038099 0.85 ESR1 (0.48) GPR52HDAC2PTGS2
SCHEMBL18199532 0.85 ESR1 (0.48) GPR52HDAC2PTGS2
SCHEMBL19326441 0.82 CYP1A2 (0.43) GPR52HRH3FFAR1
SCHEMBL21901329 0.82 CYP1A2 (0.43) GPR52HRH3FFAR1
SCHEMBL23168311 0.82 GPR52 (0.51) GPR52HDAC2FFAR1TSHR
SCHEMBL8838348 0.82 GPR52 (0.51) GPR52HDAC2FFAR1TSHR
SCHEMBL14027701 0.81 MAOB (0.50) HRH3PTGS2
SCHEMBL10824095 0.81 MAOB (0.50) HRH3
SCHEMBL18540213 0.80 GPR52 (0.43) GPR52HDAC2HRH3FFAR1RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170218271-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2017-08-03 US disclosed