SCHEMBL19618993

SCHEMBL19618993

CC(C(=O)OCc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CTSB P07858 6/20 0.46
CTSL P07711 5/20 0.46
ATM Q13315 2/20 0.44
LMNA P02545 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43

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
SCHEMBL9258822 0.83 TDP1 (0.55) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL9548377 0.81 ALDH1A1 (0.50) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL10811200 0.80 ALDH1A1 (0.49) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL15635726 0.79 ALDH1A1 (0.47) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL12640200 0.78 ALDH1A1 (0.64) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL112859 0.78 ALDH1A1 (0.64) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL939536 0.78 ALDH1A1 (0.64) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL201855 0.77 ALDH1A1 (0.62) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL9248648 0.77 ALDH1A1 (0.62) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL1107604 0.77 ALDH1A1 (0.62) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2

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-3458042-A1 CARBOXYLIC ACIDS FOR TREATING/PREVENTING A SKIN DISEASE Proponent Biotech GmbH (CH) 2019-03-27 EP disclosed
WO-2017198701-A1 CARBOXYLIC ACIDS FOR TREATING/PREVENTING A SKIN DISEASE PROPONENT BIOTECH GMBH (CH) 2017-11-23 WO disclosed