SCHEMBL14049600

SCHEMBL14049600

Cc1ccc2c(c1)C(=O)CC(CC(=O)O)S2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAOB P27338 5/20 0.35
FFAR4 Q5NUL3 3/20 0.35
ACHE P22303 1/20 0.35
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL68882 0.83 VHL (0.43) KDM4EALDH1A1FFAR4NPSR1
SCHEMBL10078168 0.83 AR (0.34)
SCHEMBL18533252 0.76 KDM4E (0.32) KDM4ESMN1; SMN2MAPTALDH1A1ACHE
SCHEMBL19751336 0.76 SIRT2 (0.45) MAOBACHE
SCHEMBL12240274 0.74 KDM4E (0.55) KDM4ESMN1; SMN2MAPTALDH1A1MAOB
SCHEMBL10383073 0.74 KDM4E (0.55) KDM4ESMN1; SMN2MAPTALDH1A1MAOB
SCHEMBL10360797 0.74 MAOB (0.48) KDM4ESMN1; SMN2ALDH1A1MAOBHTT
SCHEMBL27953676 0.70 FFAR1 (0.43) MAOBFFAR4
SCHEMBL8794212 0.70 HTT (0.32) KDM4EALDH1A1HTT
SCHEMBL10562759 0.69 KDM4E (0.53) KDM4ESMN1; SMN2MAPTACHEHTT

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
EP-1975210-A1 Ink set for inkjet recording and inkjet recording method FUJIFILM Corporation (JP) 2008-10-01 EP disclosed