SCHEMBL20138650

SCHEMBL20138650

CC(=O)Oc1cc[c]cc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ESR1 P03372 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
HMGB1 P09429 1/20 0.38
HPGD P15428 1/20 0.38
GGT1 P19440 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
BLM P54132 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
CFD P00746 2/20 0.36
MAPK1 P28482 1/20 0.35
NR3C1 P04150 1/20 0.35

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
SCHEMBL1451808 0.82 KDM4E (0.44) KDM4ETSHRALDH1A1HSD17B10ESR1
SCHEMBL20262200 0.79 ACHE (0.42) KDM4ETSHRALDH1A1HSD17B10ESR1
SCHEMBL4998918 0.78 CYP4F2 (0.44) KDM4ETSHRALDH1A1HSD17B10ESR1
SCHEMBL3197508 0.78 TSHR (0.49) KDM4ETSHRALDH1A1HSD17B10ESR1
SCHEMBL1205065 0.78 TNFSF11 (0.46) KDM4ETSHRALDH1A1HSD17B10ESR1
SCHEMBL8040089 0.78 CFD (0.40) KDM4ETSHRALDH1A1HSD17B10ESR1
SCHEMBL6962146 0.78 KDM4E (0.40) KDM4ETSHRALDH1A1HSD17B10ESR1
SCHEMBL6200251 0.76 KDM4E (0.58) KDM4ETSHRALDH1A1HSD17B10ESR1
SCHEMBL20138635 0.76 SMN1; SMN2 (0.41) KDM4ETSHRALDH1A1HSD17B10ESR1
SCHEMBL226719 0.75 NR1H4 (0.39) KDM4ETSHRALDH1A1HSD17B10ESR1

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-3538080-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) 2019-09-18 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