SCHEMBL19557489

SCHEMBL19557489

COC(=O)CN(CCOCCOc1ccccc1N(CC(=O)OC)CC(=O)OC)CC(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.57
ALDH1A1 P00352 9/20 0.43
KDM4E B2RXH2 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 3/20 0.41
PTK2B Q14289 1/20 0.41
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
MEN1 O00255 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL13435255 0.93 TDP1 (0.64) TDP1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL30069487 0.89 TDP1 (0.69) TDP1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL31344167 0.83 TDP1 (0.78) TDP1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL17707465 0.83 TDP1 (0.78) TDP1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL13230077 0.83 TDP1 (0.61) TDP1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL19557490 0.83 ALDH1A1 (0.44) TDP1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL13435254 0.81 TDP1 (0.51) TDP1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL19557494 0.81 ALDH1A1 (0.38) TDP1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL14654334 0.81 TDP1 (0.59) TDP1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL14654314 0.80 TDP1 (0.57) TDP1ALDH1A1KDM4ESMN1; SMN2LMNA

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
US-9810700-B1 Fluorogenic calcium ion indicators and methods of using the same AAT BIOQUEST, INC. (US) 2017-11-07 US disclosed
US-9810700-B1 Fluorogenic calcium ion indicators and methods of using the same AAT BIOQUEST, INC. (US) 2017-11-07 US disclosed