SCHEMBL21065879

SCHEMBL21065879

O=CCOCCOCCN(Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL13722893 1.00 REN (0.42) RENALDH1A1MEN1KMT2ATDP1
SCHEMBL23754645 0.83 ALDH1A1 (0.45) RENALDH1A1MEN1KMT2ALMNA
SCHEMBL2582068 0.82 ALDH1A1 (0.44) RENALDH1A1MEN1KMT2ATDP1
SCHEMBL2580428 0.78 ALDH1A1 (0.41) RENALDH1A1MEN1KMT2ALMNA
SCHEMBL563333 0.76 REN (0.50) RENALDH1A1MEN1KMT2ATDP1
SCHEMBL2568643 0.75 MEN1 (0.43) RENALDH1A1MEN1KMT2A
SCHEMBL3884654 0.75 MC4R (0.48) MEN1KMT2A
SCHEMBL21351575 0.74 IDO1 (0.48) RENALDH1A1MEN1KMT2ATDP1
SCHEMBL20216100 0.74 TSHR (0.52) ALDH1A1TDP1LMNA
SCHEMBL27172833 0.74 TSHR (0.52) ALDH1A1TDP1LMNA

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-3501546-A2 CYSTEINE DRUG CONJUGATES AND USE OF SAME Seattle Genetics, Inc. (US) 2019-06-26 EP disclosed