SCHEMBL5494538

SCHEMBL5494538

O=S(=O)(OCCOO)Oc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR1B P28222 6/20 0.41
KCNA3 P22001 1/20 0.40
HTR1D P28221 2/20 0.39
OGG1 O15527 1/20 0.39
HSD17B10 Q99714 2/20 0.39
PGR P06401 1/20 0.39
GAA P10253 1/20 0.39
PTGS1 P23219 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SLC6A4 P31645 1/20 0.38
HRH1 P35367 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 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
SCHEMBL1172525 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDTDP1HTR1B
SCHEMBL2316712 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDTDP1HTR1B
SCHEMBL11408937 0.80 TSHR (0.47) ALDH1A1KDM4EHPGDTDP1HTR1B
SCHEMBL27972152 0.79 HTR1B (0.48) TDP1HTR1BKCNA3HTR1DGAA
Ethylenediamine SCHEMBL27862580 0.79 HTR1B (0.61) ALDH1A1KDM4EHPGDTDP1HTR1B
SCHEMBL27528170 0.78 CNR1 (0.47) HPGDTDP1HTR1BKCNA3HTR1D
Sulfuric Acid SCHEMBL2471561 0.78 HTR1B (0.56) ALDH1A1KDM4EHPGDTDP1HTR1B
SCHEMBL548862 0.78 NQO2 (0.46) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL27676357 0.77 CNR1 (0.46) HPGDTDP1HTR1BKCNA3HTR1D
SCHEMBL5710718 0.76 HPGD (0.44) ALDH1A1KDM4EHPGDTDP1HTR1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291443-B2 Polymerizable composition and image-recording material using the same FUJIFILM CORPORATION (JP) 2007-11-06 US disclosed
EP-1507170-A2 Polymerizable composition and image-recording material using the same Fuji Photo Film Co., Ltd. (JP) 2005-02-16 EP disclosed
US-20050026082-A1 Polymerizable composition and image-recording material using the same FUJI PHOTO FILM CO., LTD. 2005-02-03 US disclosed