SCHEMBL28600603

SCHEMBL28600603

O=C(COc1cccc2cc3ccccc3cc12)OCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 5/20 0.47
HPGD P15428 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
OGG1 O15527 1/20 0.46
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CASP1 P29466 1/20 0.41
TSHR P16473 1/20 0.41
KCNA3 P22001 1/20 0.40
HTR1B P28222 2/20 0.40
HTR1D P28221 1/20 0.40
GAA P10253 1/20 0.39
F9 P00740 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
DAPK1 P53355 1/20 0.38

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
SCHEMBL28598417 0.88 TSHR (0.46) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL28590703 0.85 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL22534435 0.84 F9 (0.53) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL22534414 0.84 ALDH1A1 (0.49) ALDH1A1TDP1LMNAMAPTTSHR
SCHEMBL27554043 0.82 HTR1B (0.51) ALDH1A1KDM4EHPGDTDP1KCNA3
SCHEMBL29547089 0.81 HTT (0.54) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL28913618 0.81 HTR1B (0.50) ALDH1A1KDM4EHPGDTDP1KCNA3
SCHEMBL28591165 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL28610153 0.78 MAPT (0.52) ALDH1A1KDM4EHPGDTDP1OGG1
SCHEMBL28859138 0.77 HTR1B (0.53) ALDH1A1KDM4EKCNA3HTR1BHTR1D

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-113166036-A Photopolymerisable sensitizers having migration resistance 川崎化成工业株式会社 2021-07-23 CN disclosed