SCHEMBL31556331

SCHEMBL31556331

c1ccc2c(OP(Oc3cccc4ccccc34)Oc3cccc4ccccc34)cccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
KCNA3 P22001 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 3/20 0.44
PGR P06401 1/20 0.44
GAA P10253 1/20 0.44
PTGS1 P23219 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR1D P28221 1/20 0.44
CYP2A6 P11509 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC6A4 P31645 2/20 0.43
CYP1A2 P05177 2/20 0.43
HRH1 P35367 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL1449787 1.00 HTR1B (0.48) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL6865702 0.92 HTR1B (0.43) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL10929913 0.90 KCNA3 (0.51) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL21381123 0.88 KCNA3 (0.46) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL8956096 0.88 ALDH1A1 (0.52) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL9328250 0.87 HTR1B (0.43) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL1604278 0.87 HTR1B (0.43) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL13839483 0.85 CDC25B (0.50) ALDH1A1KDM4ETDP1HPGDHSD17B10
SCHEMBL8487339 0.85 TNF (0.41) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL13839460 0.84 HTR1B (0.38) HTR1BALDH1A1KDM4ETDP1KCNA3

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
CN-119855870-A Polycarbonate resin composition 三菱工程塑料株式会社 2025-04-18 CN disclosed