SCHEMBL21473685

SCHEMBL21473685

C=CCc1ccccc1OCc1ccc(-c2ccc(COc3ccccc3CC=C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.52
ADRA2C P18825 2/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
NISCH Q9Y2I1 1/20 0.52
DRD2 P14416 1/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.47
THRB P10828 1/20 0.47
CARM1 Q86X55 2/20 0.47
PRMT1 Q99873 2/20 0.47
TP53 P04637 1/20 0.45
ADRB2 P07550 3/20 0.45
ADRB1 P08588 3/20 0.45
LMNA P02545 2/20 0.45
ADRB3 P13945 1/20 0.45
SLC6A2 P23975 1/20 0.45
BDKRB2 P30411 1/20 0.45
SLC6A4 P31645 1/20 0.45

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
SCHEMBL9625666 0.95 HTR1A (0.56) HTR1AADRA2CADRA2AADRA2BNISCH
SCHEMBL21726729 0.93 MAPT (0.52) HTR1AADRA2CADRA2AADRA2BNISCH
SCHEMBL7805002 0.90 HTR1A (0.61) HTR1AADRA2CADRA2AADRA2BNISCH
SCHEMBL21726737 0.89 HTR1A (0.44) HTR1AADRA2CADRA2AADRA2BNISCH
SCHEMBL22700917 0.87 HTR1A (0.50) HTR1AADRA2CADRA2AADRA2BNISCH
SCHEMBL22221259 0.87 MAPT (0.55) HTR1AADRA2CADRA2AADRA2BNISCH
SCHEMBL9722212 0.83 HTR1A (0.52) HTR1AADRA2CADRA2AADRA2BNISCH
SCHEMBL12227223 0.78 KDM4E (0.64) HTR1AADRA2CADRA2AADRA2BNISCH
SCHEMBL9788862 0.78 KDM4E (0.55) HTR1AADRA2CADRA2AADRA2BNISCH
SCHEMBL9625908 0.78 KDM4E (0.69) HTR1AADRA2CADRA2AADRA2BNISCH

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
WO-2019198606-A1 ALKENYL-GROUP-CONTAINING COMPOUND, CURABLE RESIN COMPOSITION, AND CURED OBJECT OBTAINED THEREFROM 日本化薬株式会社 2019-10-17 WO disclosed