SCHEMBL9808271

SCHEMBL9808271

O=C(CSc1ccc(O)cc1)OCCOC(=O)CSc1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CA2 P00918 1/20 0.43
HSP90AA1 P07900 1/20 0.42
KCNH2 Q12809 1/20 0.42
FFAR1 O14842 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
NR1H2 P55055 1/20 0.38
ESR1 P03372 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38
KDR P35968 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
SCHEMBL3759191 0.93 HSP90AA1 (0.44) ALDH1A1CA2HSP90AA1KCNH2FFAR1
SCHEMBL9808043 0.93 SMN1; SMN2 (0.41) ALDH1A1CA2HSP90AA1KCNH2FFAR1
SCHEMBL9808274 0.93 SMN1; SMN2 (0.41) ALDH1A1CA2HSP90AA1KCNH2FFAR1
SCHEMBL14599314 0.90 TDP1 (0.53) ALDH1A1CA2SMN1; SMN2L3MBTL1LMNA
SCHEMBL9808205 0.90 HSP90AA1 (0.42) ALDH1A1CA2HSP90AA1KCNH2KMT2A
SCHEMBL9808192 0.88 LMNA (0.41) ALDH1A1CA2HSP90AA1KCNH2SMN1; SMN2
SCHEMBL2302836 0.85 KMT2A (0.50) ALDH1A1CA2KMT2AMEN1USP2
SCHEMBL6239095 0.81 MAPT (0.54) ALDH1A1CA2KMT2AMEN1USP2
SCHEMBL9808051 0.81 L3MBTL1 (0.41) ALDH1A1CA2HSP90AA1KCNH2FFAR1
SCHEMBL9808029 0.81 MEN1 (0.39) KMT2AMEN1USP2POLBL3MBTL1

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