SCHEMBL25955455

SCHEMBL25955455

CC(C)OC(=O)N(C)C1=C(/C=C/C2=[N+](CCCCS(=O)(=O)O)c3ccccc3C2(C)C)CC/C1=C\C=C1\N(CCCCS(=O)(=O)O)c2ccccc2C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
FOLR1 P15328 6/20 0.47
PTPN1 P18031 1/20 0.47
PRMT1 Q99873 1/20 0.43
CHRM1 P11229 4/20 0.40
CHRM3 P20309 4/20 0.40
CHRM2 P08172 3/20 0.40
CHRM4 P08173 3/20 0.40
CHRM5 P08912 3/20 0.40
HRH2 P25021 4/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
ADRB1 P08588 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL13100870 0.91 HTR1A (0.48) HTR1AFOLR1PTPN1PRMT1CHRM1
SCHEMBL13100866 0.89 HTR1A (0.47) HTR1AFOLR1PTPN1PRMT1CHRM1
SCHEMBL13531857 0.89 HTR1A (0.47) HTR1AFOLR1PTPN1PRMT1CHRM1
SCHEMBL20173602 0.89 HTR1A (0.52) HTR1AFOLR1PTPN1PRMT1CHRM1
SCHEMBL15436366 0.88 HTR1A (0.46) HTR1AFOLR1PTPN1PRMT1CHRM1
SCHEMBL14382352 0.88 PTPN1 (0.47) HTR1AFOLR1PTPN1PRMT1CHRM1
SCHEMBL14363969 0.87 PTPN1 (0.51) HTR1AFOLR1PTPN1PRMT1CHRM1
SCHEMBL4753273 0.86 HTR1A (0.45) HTR1AFOLR1PTPN1PRMT1CHRM1
SCHEMBL20663568 0.86 PTPN1 (0.46) HTR1AFOLR1PTPN1PRMT1CHRM1
SCHEMBL276744 0.86 HTR1A (0.46) HTR1AFOLR1PTPN1PRMT1CHRM1

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-4223534-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA OFFSET BV (BE) 2023-08-09 EP disclosed