SCHEMBL9808124

SCHEMBL9808124

O=C(OCCSc1ccc(O)cc1)OCCSc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
KCNH2 Q12809 1/20 0.47
CA2 P00918 2/20 0.44
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
NR1H2 P55055 2/20 0.39
ALDH1A1 P00352 4/20 0.39
ESR1 P03372 3/20 0.39
TSHR P16473 2/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
KDR P35968 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 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
SCHEMBL9808140 0.85 HSP90AA1 (0.49) HSP90AA1KCNH2CA2NR1H2ALDH1A1
SCHEMBL9808256 0.85 HSP90AA1 (0.45) HSP90AA1KCNH2CA2MTNR1AMTNR1B
SCHEMBL28634217 0.85 CA2 (0.46) HSP90AA1KCNH2CA2NR1H2ALDH1A1
SCHEMBL27858437 0.85 HSP90AA1 (0.45) HSP90AA1KCNH2CA2MTNR1AMTNR1B
SCHEMBL3759191 0.83 HSP90AA1 (0.44) HSP90AA1KCNH2CA2ALDH1A1TDP1
SCHEMBL9808265 0.83 HTT (0.53) HSP90AA1KCNH2CA2ALDH1A1TDP1
SCHEMBL9808078 0.82 HSP90AA1 (0.46) HSP90AA1KCNH2CA2NR1H2ALDH1A1
SCHEMBL51052 0.79 NR1H2 (0.46) HSP90AA1KCNH2CA2NR1H2ALDH1A1
SCHEMBL9808114 0.78 HSP90AA1 (0.40) HSP90AA1KCNH2CA2NR1H2ALDH1A1
SCHEMBL10407904 0.78 NR1H2 (0.55) HSP90AA1KCNH2CA2NR1H2ALDH1A1

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