SCHEMBL9808286

SCHEMBL9808286

O=C(CSc1ccc(O)c(O)c1)NCCCSc1ccc(O)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
ALDH1A1 P00352 2/20 0.56
PKM P14618 2/20 0.56
KDM4E B2RXH2 2/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
HSD17B10 Q99714 1/20 0.49
HSP90AA1 P07900 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 1/20 0.45
TRPV1 Q8NER1 1/20 0.42
HPGD P15428 1/20 0.42
ACKR3 P25106 1/20 0.40
CNR2 P34972 1/20 0.40
TEAD1 P28347 1/20 0.40
YAP1 P46937 1/20 0.40
TEAD4 Q15561 1/20 0.40

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
SCHEMBL9808177 0.91 HTT (0.59) HTTALDH1A1PKMKDM4EPOLB
SCHEMBL9808054 0.87 HTT (0.49) HTTALDH1A1PKMKDM4EPOLB
SCHEMBL9808195 0.87 HTT (0.52) HTTALDH1A1PKMKDM4EPOLB
SCHEMBL9808030 0.84 HTT (0.52) HTTALDH1A1PKMKDM4EPOLB
SCHEMBL9808050 0.83 HTT (0.56) HTTALDH1A1PKMKDM4EPOLB
SCHEMBL9808168 0.80 ALDH1A1 (0.42) HTTALDH1A1PKMKDM4EPOLB
SCHEMBL9808060 0.78 ALDH1A1 (0.53) HTTALDH1A1PKMKDM4EPOLB
SCHEMBL9808307 0.78 HTT (0.53) HTTALDH1A1PKMKDM4EPOLB
SCHEMBL8387623 0.78 TRPV1 (0.53) MAPTHSD17B10HSP90AA1RXFP1TDP1
SCHEMBL19487332 0.78 TEAD1 (0.48) HTTALDH1A1PKMKDM4EPOLB

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