SCHEMBL9348226

SCHEMBL9348226

COc1ccc(SCCOCCSc2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 1/20 0.54
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
APP P05067 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL10820381 0.92 ALDH1A1 (0.49) ALDH1A1KDM4EMTNR1AMTNR1BAPP
SCHEMBL18557906 0.92 ALDH1A1 (0.49) ALDH1A1KDM4EMTNR1AMTNR1BAPP
SCHEMBL10345730 0.92 ALDH1A1 (0.51) ALDH1A1KDM4EMTNR1AMTNR1BAPP
SCHEMBL7965895 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EMTNR1AMTNR1BAPP
SCHEMBL6512056 0.91 MTNR1A (0.51) ALDH1A1KDM4EMTNR1AMTNR1BAPP
SCHEMBL9344644 0.90 ALDH1A1 (0.50) ALDH1A1KDM4EMTNR1AMTNR1BAPP
SCHEMBL418525 0.89 ALDH1A1 (0.59) ALDH1A1KDM4EMTNR1AMTNR1BAPP
SCHEMBL10819603 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EMTNR1AMTNR1BAPP
SCHEMBL9808184 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EMTNR1AMTNR1BAPP
SCHEMBL5167250 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EMTNR1AMTNR1BAPP

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
EP-0357409-B1 Heat-sensitive recording material FUJI PHOTO FILM CO LTD (JP) 1994-07-20 EP disclosed
US-4985393-A Bis/hydroxyphenylthio/ Compounds KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1991-01-15 US disclosed
EP-0373561-A2 Heat sensitive recording material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-06-20 EP disclosed
EP-0357409-A2 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD. (JP) 1990-03-07 EP disclosed