SCHEMBL17870838

SCHEMBL17870838

COc1ccc([N+](=O)[O-])c(C(C)CNC2CCN(C(=O)O)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
TRPV1 Q8NER1 1/20 0.44
RECQL P46063 2/20 0.44
LMNA P02545 3/20 0.42
MAPT P10636 5/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39

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
SCHEMBL17870837 1.00 ALDH1A1 (0.44) ALDH1A1TRPV1RECQLLMNAMAPT
SCHEMBL30178359 0.88 ALDH1A1 (0.51) ALDH1A1TRPV1RECQLMAPTNPC1
SCHEMBL19873697 0.85 ALDH1A1 (0.45) ALDH1A1TRPV1RECQLLMNAMAPT
SCHEMBL17870704 0.84 MAPT (0.39) ALDH1A1LMNAMAPTHPGD
SCHEMBL30178389 0.81 TRPV1 (0.34) ALDH1A1TRPV1RECQLKMT2A
SCHEMBL17870715 0.80 ALDH1A1 (0.44) ALDH1A1TRPV1RECQLLMNAMAPT
SCHEMBL17870716 0.80 ALDH1A1 (0.44) ALDH1A1TRPV1RECQLLMNAMAPT
SCHEMBL28638738 0.72 ALDH1A1 (0.46) ALDH1A1TRPV1RECQLLMNAMAPT
SCHEMBL30178371 0.72 ALDH1A1 (0.46) ALDH1A1TRPV1RECQLLMNAMAPT
SCHEMBL30178466 0.72 ALDH1A1 (0.54) ALDH1A1LMNAMAPTKMT2ANPC1

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-3237403-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2017-11-01 EP disclosed
WO-2016102882-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-30 WO disclosed