SCHEMBL4127840

SCHEMBL4127840

CCN(CC(=O)O)c1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 5/20 0.46
POLB P06746 4/20 0.46
GAA P10253 2/20 0.46
NOX1 Q9Y5S8 2/20 0.46
MCL1 Q07820 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
THRB P10828 2/20 0.46
PKM P14618 2/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 2/20 0.46
MDM2 Q00987 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TNNI3 P19429 1/20 0.46
TNNT2 P45379 1/20 0.46
TNNC1 P63316 1/20 0.46

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
SCHEMBL12106085 0.90 MEN1 (0.52) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL10907589 0.89 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL64440 0.88 MEN1 (0.56) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL342127 0.88 TSHR (0.52) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL26558194 0.87 MAPT (0.61) ALDH1A1MEN1KMT2AMAPTPOLB
Hydrochloric Acid SCHEMBL2121314 0.86 MAPT (0.54) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL3349361 0.83 KEAP1 (0.51) ALDH1A1MEN1KMT2AMAPTNOX1
SCHEMBL8483627 0.83 ESRRG (0.48) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL8373779 0.83 MAPT (0.50) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL1132513 0.82 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748445-B2 Methods for treating glioma THE UAB RESEARCH FOUNDATION (US) 2014-06-10 US disclosed
US-20090117031-A1 Methods for Treating Glioma NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2009-05-07 US disclosed
EP-1824564-A2 METHOD FOR TREATING GLIOMA THE UAB RESEARCH FOUNDATION (US) 2007-08-29 EP disclosed
WO-2006049957-A2 METHOD FOR TREATING GLIOMA THE UAB RESEARCH FOUNDATION (US) 2006-05-11 WO disclosed