SCHEMBL22153166

SCHEMBL22153166

O=C(O)C(CCCCN1C(=O)C=C(Sc2ccccc2)C1=O)N1C(=O)C=C(Sc2ccccc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2D6 P10635 2/20 0.37
POLB P06746 2/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
APEX1 P27695 1/20 0.37
HDAC1 Q13547 4/20 0.34
HDAC7 Q8WUI4 4/20 0.34
MAPT P10636 2/20 0.33
ALOX15 P16050 1/20 0.33
GAA P10253 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL22153148 1.00 HPGD (0.37) HPGDALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL22153134 0.84 ALDH1A1 (0.39) HPGDALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL22153165 0.74 RGS4 (0.39) HPGDALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL8887852 0.74 ALDH1A1 (0.34) HPGDALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL29333155 0.70 ALDH1A1 (0.33) HPGDALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL24130616 0.70 ALDH1A1 (0.64) HPGDALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL30299434 0.70 ALDH1A1 (0.64) HPGDALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL21851961 0.70 ALDH1A1 (0.64) HPGDALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL22153693 0.69 RGS4 (0.39) ALDH1A1MAPK1CYP2D6MAPTCYP1A2
SCHEMBL22153155 0.69 PTGS1 (0.43) HPGDALDH1A1KDM4EMAPK1HSD17B10

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-2020125546-A1 CONNECTOR FOR USE IN ANTIBODY MEDICAMENT CONJUGATE AND APPLICATIONS OF CONNECTOR 荣昌生物制药(烟台)有限公司 2020-06-25 WO disclosed