SCHEMBL19975781

SCHEMBL19975781

COC(=O)c1cc(C(=O)OCc2ccccc2)cc(CN2CCN(Cc3cc(C(=O)OCc4ccccc4)cc(C(=O)OC)n3)C[C@H](CCCCN)N(Cc3cc(C(=O)OCc4ccccc4)cc(C(=O)OC)n3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
SLC29A1 Q99808 1/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PRSS1 P07477 4/20 0.37
PRSS2 P07478 4/20 0.37
PRSS3 P35030 4/20 0.37
TPSAB1 Q15661 4/20 0.37
CHRM4 P08173 1/20 0.36
GAA P10253 1/20 0.35
G6PD P11413 1/20 0.35
SIGMAR1 Q99720 2/20 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
SCHEMBL19975780 0.88 CHRM4 (0.39) ALDH1A1KDM4EL3MBTL1CHRM4SIGMAR1
SCHEMBL19975749 0.84 KMT2A (0.45) ALDH1A1SLC29A1LMNAL3MBTL1
SCHEMBL19975783 0.82 MAPT (0.39) L3MBTL1SIGMAR1
SCHEMBL19975611 0.82 ALDH1A1 (0.34) ALDH1A1KDM4ESLC29A1LMNAPRSS1
SCHEMBL19975609 0.82 CHRM4 (0.39) ALDH1A1KDM4EL3MBTL1CHRM4SIGMAR1
SCHEMBL19975595 0.80 TDP1 (0.43) ALDH1A1SLC29A1LMNAL3MBTL1CHRM4
SCHEMBL19975760 0.79 KDM5C (0.43) ALDH1A1KDM4ESLC29A1LMNASIGMAR1
SCHEMBL19975603 0.77 PHGDH (0.41) ALDH1A1KDM4ESLC29A1LMNAL3MBTL1
SCHEMBL19975750 0.75 TDP1 (0.48) ALDH1A1KDM4ESLC29A1LMNAL3MBTL1
SCHEMBL19975600 0.75 CHRM3 (0.40) ALDH1A1KDM4ESLC29A1LMNAL3MBTL1

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
US-9920082-B2 Water-soluble complexing agents and corresponding lanthanide complexes CISBO BIOASSAYS (FR) 2018-03-20 US disclosed