SCHEMBL8628169

SCHEMBL8628169

CO[PH](=O)Oc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.47
PTGS1 P23219 3/20 0.47
ENPP2 Q13822 2/20 0.42
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
AKR1C3 P42330 1/20 0.38
GSK3B P49841 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
SCHEMBL28149203 0.77 CA1 (0.52) PKM
SCHEMBL2895268 0.75 ACHE (0.48) SMN1; SMN2
SCHEMBL11986371 0.74 PKM (0.70) PTGS2PTGS1PKMAKR1C3
SCHEMBL280156 0.74 PKM (0.70) PTGS2PTGS1PKMAKR1C3
SCHEMBL27843900 0.74 TDP1 (0.50) SMN1; SMN2
SCHEMBL11236855 0.74 HPGD (0.42) PTGS2
SCHEMBL673284 0.73 CA4 (0.46) PKMSMN1; SMN2
SCHEMBL11547843 0.72 HTT (0.58) PTGS2PTGS1ENPP2SMN1; SMN2
SCHEMBL28946013 0.71 CA4 (0.44) PKMSMN1; SMN2
Water SCHEMBL7651793 0.71 CA4 (0.44) PKMSMN1; SMN2

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-5712223-A YELLOW DYES WITH IMPROVED EFFICIENCY EASTMAN KODAK COMPANY (US) 1998-01-27 US disclosed