SCHEMBL3955417

SCHEMBL3955417

Cc1ccccc1CC(C(=O)O)N(C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
PPARA Q07869 1/20 0.45
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
CTBP2 P56545 1/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
POLQ O75417 1/20 0.38
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL287362 0.85 PPARG (0.48) PPARGPPARAALDH1A1HPGDCTBP2
SCHEMBL4964530 0.80 CYP1A2 (0.50) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL4964528 0.80 CYP1A2 (0.50) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL27305323 0.80 PPARG (0.44) PPARGPPARAALDH1A1HPGDCTBP2
SCHEMBL679865 0.76 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1POLQHTT
SCHEMBL4564576 0.76 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1POLQHTT
SCHEMBL27820012 0.76 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1POLQHTT
SCHEMBL430659 0.76 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HTT
SCHEMBL430660 0.76 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HTT
SCHEMBL7437418 0.76 KMT2A (0.58) PPARGPPARAALDH1A1HPGDCTBP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021354-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS Brystol-Myers Squibb Company (US) 2009-02-11 EP disclosed
WO-2007140284-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed