SCHEMBL9808237

SCHEMBL9808237

COc1cc(SCCCNC(=O)CCSc2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
TYR P14679 1/20 0.45

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
SCHEMBL9808191 0.92 KDM4E (0.51) KDM4EHPGDMTNR1AMTNR1B
SCHEMBL9808030 0.90 HTT (0.52) KDM4EHPGDMEN1KMT2AMTNR1A
SCHEMBL9808182 0.82 MAPT (0.53) KDM4EHPGDKMT2AMTNR1AMTNR1B
SCHEMBL9808079 0.81 HPGD (0.51) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL9808250 0.80 HDAC1 (0.54) MEN1KMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL9808036 0.77 HPGD (0.62) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL9808055 0.76 KDM4E (0.45) KDM4EMEN1KMT2AALDH1A1
SCHEMBL19487067 0.76 EPHX2 (0.55) KDM4EHPGDKMT2AALDH1A1
SCHEMBL9808041 0.75 KDM4E (0.46) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL9808064 0.75 HPGD (0.53) KDM4EHPGDMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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