SCHEMBL2053130

SCHEMBL2053130

COC(=O)C(CC(=O)O)C(C)c1ccc(OC)cc1CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.34
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CASP1 P29466 1/20 0.33
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
CASP8 Q14790 1/20 0.33
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
FFAR1 O14842 1/20 0.32
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 0.82 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHSD17B10TDP1
SCHEMBL27750685 0.80 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHSD17B10MTNR1A
SCHEMBL2046625 0.79 HTT (0.42) HTTMEN1KMT2AHSD17B10MTNR1A
SCHEMBL11484971 0.77 HSD17B10 (0.52) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL2053129 0.76 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATDP1
SCHEMBL2048346 0.74 ALDH1A1 (0.45) ALDH1A1HTTMEN1KMT2AHSD17B10
SCHEMBL6423170 0.72 ALDH1A1 (0.37) ALDH1A1KMT2AHSD17B10
SCHEMBL15624358 0.72 KMT2A (0.55) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL6418597 0.68 EPHX2 (0.35) ALDH1A1HSD17B10KDM4ETDP1
SCHEMBL20131479 0.68 SMN1; SMN2 (0.59) ALDH1A1HTTMEN1KMT2AKDM4E

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