SCHEMBL2053129

SCHEMBL2053129

COC(=O)CC(Cc1ccc(OC)cc1CN(C)C(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
NPC1 O15118 1/20 0.34
EPHX2 P34913 2/20 0.34
MMP1 P03956 3/20 0.33
PPARG P37231 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2803839 0.92 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1CYP1A2CYP2C9
SCHEMBL6423170 0.82 ALDH1A1 (0.37) ALDH1A1KMT2ACYP1A2CYP2C9EPHX2
SCHEMBL27750685 0.82 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1TDP1
SCHEMBL2046623 0.78 SLC6A4 (0.41) KMT2AMEN1CYP1A2CYP2C9EPHX2
SCHEMBL6418597 0.77 EPHX2 (0.35) ALDH1A1CYP1A2CYP2C9EPHX2MMP1
SCHEMBL11484971 0.76 HSD17B10 (0.52) ALDH1A1KMT2AMEN1MMP1TDP1
SCHEMBL15624358 0.76 KMT2A (0.55) ALDH1A1KMT2AMEN1NPC1GAA
SCHEMBL2048346 0.76 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1GAATDP1
SCHEMBL2053130 0.76 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1TDP1
SCHEMBL4638056 0.74 EPHX2 (0.40) CYP1A2CYP2C9EPHX2PPARG

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-2329821-A1 Treatment of ocular neovascular disorders such as macular degeneration, angiod streaks, uveitis and macular edema GlaxoSmithKline LLC (US) 2011-06-08 EP disclosed