SCHEMBL7907775

SCHEMBL7907775

CCC(Oc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1)C([NH])=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.51
GAA P10253 2/20 0.51
ELANE P08246 2/20 0.49
CTRC Q99895 1/20 0.45
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ENPP2 Q13822 1/20 0.36
ATM Q13315 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36

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
SCHEMBL7907778 0.87 PKM (0.53) PKMGAAELANECTRCPOLB
SCHEMBL8615505 0.84 CTRC (0.61) PKMGAAELANECTRCALDH1A1
SCHEMBL2445423 0.84 CTRC (0.61) PKMGAAELANECTRCALDH1A1
SCHEMBL8617946 0.84 CTRC (0.61) PKMGAAELANECTRCALDH1A1
SCHEMBL417296 0.80 PKM (0.59) PKMGAAELANECTRCPOLB
SCHEMBL50955 0.80 PKM (0.59) PKMGAAELANECTRCPOLB
SCHEMBL8617948 0.75 CTRC (0.62) PKMGAAELANECTRCALDH1A1
SCHEMBL8615508 0.75 CTRC (0.62) PKMGAAELANECTRCALDH1A1
SCHEMBL2445425 0.75 CTRC (0.62) PKMGAAELANECTRCALDH1A1
SCHEMBL433427 0.75 SMN1; SMN2 (0.65) SMN1; 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-6197071-B1 HAIR DYES; LIGHT STABILITY; COLOR PHOTOGRAPHY EASTMAN KODAK COMPANY 2001-03-06 US disclosed