SCHEMBL9808205

SCHEMBL9808205

O=C(CSc1ccc(O)cc1)OCCCSc1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
KCNH2 Q12809 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
ESR1 P03372 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1H2 P55055 1/20 0.39
RNASEL Q05823 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CA2 P00918 1/20 0.39
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL9808192 0.95 LMNA (0.41) HSP90AA1KCNH2L3MBTL1TDP1ATM
SCHEMBL9808043 0.93 SMN1; SMN2 (0.41) HSP90AA1KCNH2L3MBTL1TDP1ATM
SCHEMBL9808274 0.93 SMN1; SMN2 (0.41) HSP90AA1KCNH2L3MBTL1TDP1ATM
SCHEMBL3759191 0.90 HSP90AA1 (0.44) HSP90AA1KCNH2L3MBTL1TDP1MAPK1
SCHEMBL9808271 0.90 ALDH1A1 (0.43) HSP90AA1KCNH2L3MBTL1TDP1LMNA
SCHEMBL9808090 0.87 HTT (0.50) HSP90AA1KCNH2L3MBTL1TDP1LMNA
SCHEMBL14599314 0.83 TDP1 (0.53) L3MBTL1TDP1ATMLMNAESR1
SCHEMBL22435401 0.83 ESR1 (0.46) HSP90AA1KCNH2TDP1LMNACTDSP1
SCHEMBL22621337 0.83 HSP90AA1 (0.42) HSP90AA1KCNH2L3MBTL1TDP1LMNA
SCHEMBL9808202 0.83 APP (0.41) HSP90AA1L3MBTL1TDP1ATMCYP1A2

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