SCHEMBL18220792

SCHEMBL18220792

NOc1ccc(Cc2ccc(O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.64
ESR2 Q92731 3/20 0.64
IDO1 P14902 2/20 0.54
PTPN1 P18031 1/20 0.52
ABAT P80404 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CALM1 P0DP23 1/20 0.44
APP P05067 1/20 0.44
SLC6A2 P23975 2/20 0.43
CYP2C19 P33261 2/20 0.43
BACE1 P56817 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
HTR3A P46098 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ELANE P08246 1/20 0.42

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
SCHEMBL16938436 0.88 STS (0.50) ESR1ESR2IDO1PTPN1CALM1
SCHEMBL2107857 0.85
Bromide SCHEMBL11511417 0.83 ESR2 (0.55) ESR1ESR2IDO1KMT2AMEN1
SCHEMBL5488305 0.81 ESR1 (0.70) ESR1ESR2PTPN1KMT2AMEN1
SCHEMBL14421265 0.81 ESR1 (0.70) ESR1ESR2PTPN1KMT2AMEN1
SCHEMBL12804905 0.81 ESR1 (0.70) ESR1ESR2PTPN1KMT2AMEN1
SCHEMBL36454 0.80 ESR1 (1.00) ESR1ESR2IDO1PTPN1ABAT
SCHEMBL2969737 0.80 ESR1 (1.00) ESR1ESR2IDO1PTPN1ABAT
SCHEMBL25710737 0.79 LTA4H (0.61) IDO1CALM1CYP2C19L3MBTL1CYP1A2
SCHEMBL17737064 0.79 ESR1 (0.67) ESR1ESR2IDO1PTPN1ABAT

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
EP-1923418-B1 STAR POLYMER AND PROCESS FOR PRODUCTION THEREOF NIPPON SODA CO (JP) 2016-11-09 EP disclosed