SCHEMBL20159780

SCHEMBL20159780

C=CC(=O)NCCCC(=O)N(CCC(=O)O)CCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZDHHC20 Q5W0Z9 1/20 0.46
▸ ZDHHC2 Q9UIJ5 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TGM2 P21980 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ PRMT1 Q99873 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ APBA1 Q02410 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4A O75164 5/20 0.34
▸ KDM4C Q9H3R0 5/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL19911192 0.85 ALDH1A1 (0.41) ZDHHC20ZDHHC2ALDH1A1TDP1MAPK1
SCHEMBL38788 0.84 ZDHHC20 (0.57) ZDHHC20ZDHHC2ALDH1A1TDP1MAPK1
SCHEMBL20061022 0.80 ZDHHC20 (0.42) ZDHHC20ZDHHC2ALDH1A1TDP1MAPK1
SCHEMBL20061023 0.79 ZDHHC20 (0.45) ZDHHC20ZDHHC2ALDH1A1TDP1MAPK1
SCHEMBL19915461 0.78 ALDH1A1 (0.35) ZDHHC20ZDHHC2ALDH1A1TDP1MAPK1
SCHEMBL35903 0.78 ZDHHC20 (0.60) ZDHHC20ZDHHC2ALDH1A1TDP1MAPK1
SCHEMBL23901259 0.77 ADRA1A (0.58) MAPK1PRMT1KDM4EL3MBTL1KDM4A
SCHEMBL19915462 0.77 ALDH1A1 (0.42) ZDHHC20ZDHHC2ALDH1A1TDP1MAPK1
SCHEMBL20063322 0.77 ZDHHC20 (0.41) ZDHHC20ZDHHC2ALDH1A1TDP1MAPK1
SCHEMBL20194270 0.77 ZDHHC20 (0.41) ZDHHC20ZDHHC2ALDH1A1TDP1MAPK1

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
WO-2018086139-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2018-05-17 — — WO disclosed
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