SCHEMBL3259609

SCHEMBL3259609

C=CC(=O)OC(C)Sc1nc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
HPGD P15428 5/20 0.53
POLB P06746 3/20 0.48
LMNA P02545 2/20 0.48
ALOX15 P16050 3/20 0.47
TSHR P16473 3/20 0.47
MAPT P10636 2/20 0.47
CASP1 P29466 1/20 0.47
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
ALOX5 P09917 2/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4301644 0.79 LMNA (0.58) ALDH1A1HPGDPOLBLMNAALOX15
SCHEMBL4758796 0.79 ALDH1A1 (0.55) ALDH1A1HPGDPOLBTSHRMAPT
SCHEMBL28489985 0.78 POLB (0.51) ALDH1A1HPGDPOLBALOX15TSHR
2-Mercaptobenzothiazole SCHEMBL28965958 0.76 ALDH1A1 (0.48) ALDH1A1HPGDALOX15TSHRMAPT
SCHEMBL10760487 0.75 ALDH1A1 (0.63) ALDH1A1HPGDPOLBLMNAALOX15
SCHEMBL25123491 0.74 ALDH1A1 (0.50) ALDH1A1HPGDPOLBTSHRMAPT
SCHEMBL718296 0.74 PPARA (0.67) ALDH1A1HPGDPOLBLMNAALOX15
SCHEMBL9181425 0.73 ALDH1A1 (0.54) ALDH1A1HPGDPOLBLMNAALOX15
SCHEMBL10643688 0.73 LMNA (0.60) ALDH1A1HPGDPOLBLMNAALOX15
SCHEMBL10927242 0.73 ALDH1A1 (0.63) ALDH1A1HPGDPOLBLMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815472-B2 Volume hologram optical recording medium, composition for volume hologram recording layer formation, and volume hologram recording material MITSUBISHI CHEMICAL CORPORATION (JP) 2014-08-26 US disclosed
EP-2077471-B1 VOLUME HOLOGRAM OPTICAL RECORDING MEDIUM, COMPOSITION FOR VOLUME HOLOGRAM RECORDING LAYER FORMATION, AND VOLUME HOLOGRAM RECORDING MATERIAL MITSUBISHI CHEM CORP (JP) 2012-07-25 EP disclosed
US-20100067073-A1 VOLUME HOLOGRAM OPTICAL RECORDING MEDIUM, COMPOSITION FOR VOLUME HOLOGRAM RECORDING LAYER FORMATION, AND VOLUME HOLOGRAM RECORDING MATERIAL MITSUBISHI CHEMICAL CORPORATION (JP) 2010-03-18 US disclosed
EP-2077471-A1 VOLUME HOLOGRAM OPTICAL RECORDING MEDIUM, COMPOSITION FOR VOLUME HOLOGRAM RECORDING LAYER FORMATION, AND VOLUME HOLOGRAM RECORDING MATERIAL Mitsubishi Chemical Corporation (JP) 2009-07-08 EP disclosed