SCHEMBL9703576

SCHEMBL9703576

C=C(C)C(=O)OC1CCCCN1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
GPR174 Q9BXC1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CSF1R P07333 1/20 0.38
GRM5 P41594 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
CA1 P00915 2/20 0.36

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
SCHEMBL9702869 0.85 ALDH1A1 (0.35) ALDH1A1LMNAKMT2AL3MBTL1MAPK1
SCHEMBL9702877 0.84 ALDH1A1 (0.38) ALDH1A1LMNAKMT2AL3MBTL1MAPK1
SCHEMBL8084718 0.76 SMN1; SMN2 (0.46) ALDH1A1LMNAKMT2AL3MBTL1MAPK1
SCHEMBL7913532 0.76 SMN1; SMN2 (0.46) ALDH1A1LMNAKMT2ASMN1; SMN2HTT
SCHEMBL29512633 0.75 MAPT (0.59) ALDH1A1KMT2AL3MBTL1MAPK1GPR174
SCHEMBL15522549 0.74 KMT2A (0.55) ALDH1A1LMNAKMT2AGPR174SMN1; SMN2
SCHEMBL27736274 0.72 ALDH1A1 (0.45) ALDH1A1LMNAKMT2AL3MBTL1MAPK1
SCHEMBL29512894 0.72 CUL4A (0.49) ALDH1A1LMNAKMT2AL3MBTL1MAPK1
SCHEMBL7978483 0.71 SMN1; SMN2 (0.68) ALDH1A1LMNAKMT2ASMN1; SMN2GRM5
SCHEMBL7981185 0.71 SMN1; SMN2 (0.68) ALDH1A1LMNAKMT2ASMN1; SMN2GRM5

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-5155793-A OPTICAL COMPONENT FOR APPLICATIONS IN INTEGRATED OPTICS THOMSON-CSF (FR) 1992-10-13 US disclosed
EP-0442796-A1 Optical component for applications in integrated optics THOMSON-CSF (FR) 1991-08-21 EP disclosed