SCHEMBL2193000

SCHEMBL2193000

C=COC(=O)NCCC(=O)O.C=COC(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.36
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
FOLH1 Q04609 7/20 0.31
FAAH O00519 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31
MME P08473 1/20 0.30
ACE P12821 1/20 0.30
CPA1 P15085 1/20 0.30
ACE2 Q9BYF1 1/20 0.30

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
SCHEMBL35620 0.84 TSHR (0.35) ALDH1A1MAPTTSHRFAAHSMN1; SMN2
SCHEMBL1491961 0.84 TSHR (0.35) ALDH1A1MAPTTSHRFAAHSMN1; SMN2
SCHEMBL35295 0.84 ECE1 (0.41) ECE1MAPTMEN1TSHRKMT2A
SCHEMBL389072 0.84 TSHR (0.35) ALDH1A1MAPTTSHRFAAHSMN1; SMN2
SCHEMBL7513885 0.74 HTT (0.46) MAPTMEN1TSHRKMT2ASLC6A5
SCHEMBL13055391 0.71 TSHR (0.35) ALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL6025227 0.71 ECE1 (0.43) ECE1ALDH1A1MAPTMEN1TSHR
SCHEMBL21716614 0.71 RAB9A (0.41) TSHRSMN1; SMN2
SCHEMBL9169954 0.70 FOLH1 (0.56) FOLH1
SCHEMBL9167800 0.70 FOLH1 (0.56) FOLH1

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-2342588-A1 IONIC SILICONE HYDROGELS HAVING IMPROVED HYDROLYTIC STABILITY Johnson & Johnson Vision Care, Inc. (US) 2011-07-13 EP claimed