SCHEMBL20159682

SCHEMBL20159682

C=CC(=O)NCC(CNC(=O)C=C)C(=O)NC

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
TGM2 P21980 4/20 0.33
USP2 O75604 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
SCHEMBL11940953 0.82 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL20159826 0.77 GFPT1 (0.33)
SCHEMBL6684683 0.75 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL10593562 0.74 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28422 0.74 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL372689 0.74
SCHEMBL18755013 0.74 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28708233 0.73 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL12723737 0.73 TSHR (0.59) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL7744606 0.72 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3888691-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) 2021-10-06 EP disclosed
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