SCHEMBL7230503

SCHEMBL7230503

O=C(Nc1cccc2cc(S(=O)(=O)O)ccc12)c1cc(NC(=O)c2cccc(O)c2C(=O)O)cc(C(=O)Nc2cccc3cc(S(=O)(=O)O)ccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.51
FGF1 P05230 1/20 0.48
TIMP3 P35625 2/20 0.47
APEX1 P27695 1/20 0.43
PTGES O14684 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.41
RHOA P61586 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
ENPP2 Q13822 1/20 0.39
PKM P14618 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PRMT1 Q99873 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
SCHEMBL7224663 0.88 CASP6 (0.55) CASP6FGF1TIMP3APEX1PTGES
SCHEMBL7224712 0.85 CASP6 (0.56) CASP6FGF1TIMP3APEX1PTGES
SCHEMBL7231701 0.85 CASP6 (0.56) CASP6FGF1TIMP3PTGESRHOA
SCHEMBL7223574 0.85 FGF1 (0.60) CASP6FGF1TIMP3APEX1CTDSP1
SCHEMBL7224393 0.85 CASP6 (0.58) CASP6FGF1TIMP3APEX1PTGES
SCHEMBL7233377 0.85 CASP6 (0.60) CASP6FGF1TIMP3APEX1PTGES
SCHEMBL7233090 0.83 CASP6 (0.52) CASP6FGF1TIMP3APEX1PTGES
SCHEMBL7233875 0.83 CASP6 (0.57) CASP6FGF1TIMP3PTGESRHOA
SCHEMBL6243020 0.82 CASP6 (0.66) CASP6FGF1TIMP3APEX1CTDSP1
SCHEMBL6240628 0.82 CASP6 (0.72) CASP6FGF1TIMP3APEX1CTDSP1

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-6653321-B1 Stimulating kinase activity of insulin receptor; type II diabetes; hyperglycemia TELIK, INC. 2003-11-25 US disclosed