SCHEMBL9808192

SCHEMBL9808192

O=C(CSc1ccc(O)cc1)OCCCCSc1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KCNH2 Q12809 1/20 0.41
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR1H2 P55055 1/20 0.38
RNASEL Q05823 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CA2 P00918 3/20 0.38
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 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
SCHEMBL9808205 0.95 HSP90AA1 (0.42) LMNACTDSP1HSP90AA1KCNH2ATM
SCHEMBL9808043 0.95 SMN1; SMN2 (0.41) LMNAHSP90AA1KCNH2ATMTDP1
SCHEMBL9808274 0.92 SMN1; SMN2 (0.41) LMNAHSP90AA1KCNH2ATMTDP1
SCHEMBL3759191 0.88 HSP90AA1 (0.44) HSP90AA1KCNH2TDP1L3MBTL1MAPK1
SCHEMBL9808271 0.88 ALDH1A1 (0.43) LMNAHSP90AA1KCNH2TDP1L3MBTL1
SCHEMBL9808090 0.82 HTT (0.50) LMNACTDSP1HSP90AA1KCNH2TDP1
SCHEMBL14599314 0.82 TDP1 (0.53) LMNAATMTDP1L3MBTL1ESR1
SCHEMBL537146 0.78 LMNA (0.56) LMNACTDSP1HSP90AA1KCNH2MAPK1
SCHEMBL9808202 0.78 APP (0.41) HSP90AA1ATMTDP1L3MBTL1CYP1A2
SCHEMBL22435401 0.78 ESR1 (0.46) LMNACTDSP1HSP90AA1KCNH2TDP1

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