SCHEMBL8736287

SCHEMBL8736287

O=CCCCS(=O)(=O)O.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
HIF1A Q16665 1/20 0.45
TSHR P16473 2/20 0.38
PTGS1 P23219 1/20 0.38
PDE4A P27815 1/20 0.38
LMNA P02545 1/20 0.38
SLC6A6 P31641 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
EPHX2 P34913 1/20 0.34
FAAH O00519 2/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL3038000 0.97
SCHEMBL6013591 0.90 APP (0.46) APPHIF1ATSHRPTGS1PDE4A
SCHEMBL3044857 0.87 EPHX2 (0.44) APPHIF1ATSHRPTGS1PDE4A
SCHEMBL6013596 0.87 EPHX2 (0.44) APPHIF1ATSHRPTGS1PDE4A
SCHEMBL27790845 0.87 EPHX2 (0.44) APPHIF1ATSHRPTGS1PDE4A
SCHEMBL19152994 0.87 EPHX2 (0.44) APPHIF1ATSHRPTGS1PDE4A
SCHEMBL7385202 0.87 EPHX2 (0.44) APPHIF1ATSHRPTGS1PDE4A
SCHEMBL7377028 0.87 EPHX2 (0.44) APPHIF1ATSHRPTGS1PDE4A
SCHEMBL7283408 0.87 EPHX2 (0.44) APPHIF1ATSHRPTGS1PDE4A
SCHEMBL5923768 0.83

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0621075-B1 Process for reversibly ionising or de-ionising a rhodium -containing catalyst and its use in hydroformlyation. KURARAY CO (JP) 1998-07-22 EP disclosed
US-5434311-A Rhodium-containing catalyst KURARAY CO., LTD. (JP) 1995-07-18 US disclosed
EP-0621075-A2 Novel rhodium-containing catalyst KURARAY CO., LTD. (JP) 1994-10-26 EP disclosed