SCHEMBL9808043

SCHEMBL9808043

O=C(CSc1ccc(O)cc1)OCCCCOC(=O)CSc1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
ESR1 P03372 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CA2 P00918 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 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
SCHEMBL9808274 0.96 SMN1; SMN2 (0.41) SMN1; SMN2LMNAESR1CYP1A2CYP2D6
SCHEMBL9808192 0.95 LMNA (0.41) SMN1; SMN2LMNAESR1CYP1A2CYP2D6
SCHEMBL9808205 0.93 HSP90AA1 (0.42) SMN1; SMN2LMNAESR1CYP1A2CYP2D6
SCHEMBL9808271 0.93 ALDH1A1 (0.43) SMN1; SMN2LMNAESR1TSHRNR1H2
SCHEMBL3759191 0.89 HSP90AA1 (0.44) SMN1; SMN2MAPK1L3MBTL1TDP1ALDH1A1
SCHEMBL14599314 0.86 TDP1 (0.53) SMN1; SMN2LMNAESR1CYP1A2CYP2D6
SCHEMBL2302836 0.82 KMT2A (0.50) SMN1; SMN2LMNAESR1TSHRL3MBTL1
SCHEMBL9808090 0.79 HTT (0.50) SMN1; SMN2LMNAESR1CYP1A2CYP2D6
SCHEMBL6239095 0.78 MAPT (0.54) SMN1; SMN2LMNACYP1A2MAPK1CYP2C19
SCHEMBL26246250 0.78 PKM (0.46) SMN1; SMN2LMNAESR1CYP1A2CYP2D6

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 1 patent. 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