SCHEMBL7776267

SCHEMBL7776267

C=CC(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 10/20 0.57
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
F13A1 P00488 1/20 0.48
LMNA P02545 1/20 0.48
TGM1 P22735 1/20 0.48
TGM3 Q08188 1/20 0.48
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL503852 0.96 TGM2 (0.57) TGM2PKML3MBTL1MEN1KMT2A
SCHEMBL19911213 0.86 LPAR2 (0.56) TGM2L3MBTL1MEN1KMT2ALMNA
SCHEMBL16053417 0.83 TGM2 (0.64) TGM2F13A1LMNATGM1TGM3
SCHEMBL1668968 0.82 TGM2 (0.65) TGM2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL20839770 0.80 KDM4E (0.57) TGM2MEN1KMT2AF13A1LMNA
SCHEMBL19911212 0.80 NSD2 (0.59) TGM2PKML3MBTL1MEN1KMT2A
SCHEMBL890715 0.80 TGM2 (0.68) TGM2MEN1KMT2AF13A1LMNA
SCHEMBL20278504 0.79 CA1 (0.45) TGM2MEN1KMT2AF13A1LMNA
SCHEMBL18155072 0.78 LPAR2 (0.59) PKML3MBTL1MEN1KMT2ALMNA
SCHEMBL18155074 0.78 LPAR2 (0.59) PKML3MBTL1MEN1KMT2ALMNA

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-1124790-A1 BIODEGRADABLE NONIONIC CONTRAST MEDIA BIOPHYSICA, INC. (US) 2001-08-22 EP disclosed
US-6072069-A Biodegradable nonionic contrast media BIOPHYSICA, INC. (US) 2000-06-06 US disclosed
WO-2000026179-A1 BIODEGRADABLE NONIONIC CONTRAST MEDIA BIOPHYSICA INC (US) 2000-05-11 WO disclosed