SCHEMBL24519723

SCHEMBL24519723

CCCN(C)c1ccc([N+](=O)[O-])cc1COC=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.44
ALDH1A1 P00352 2/20 0.43
HCAR3 P49019 1/20 0.43
MAPT P10636 1/20 0.41
ALDH3A1 P30838 1/20 0.40
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL19753973 0.80 HCAR3 (0.48) CYP19A1ALDH1A1HCAR3MAPTALDH3A1
SCHEMBL9518671 0.78 POLB (0.45) CYP19A1ALDH1A1MAPTHTT
SCHEMBL10203574 0.74 ALDH1A1 (0.45) CYP19A1ALDH1A1HCAR3MAPTALDH3A1
SCHEMBL11969278 0.74 ALDH1A1 (0.50) CYP19A1ALDH1A1HCAR3MAPTALDH3A1
SCHEMBL9730846 0.73 ALDH1A1 (0.51) ALDH1A1MAPTHTT
SCHEMBL14022840 0.72 LMNA (0.46) CYP19A1ALDH1A1
SCHEMBL28911293 0.72 HTT (0.50) CYP19A1ALDH1A1MAPTTP53HTT
SCHEMBL1148689 0.72 ALDH1A1 (0.52) CYP19A1ALDH1A1HCAR3MAPTHTT
SCHEMBL22756325 0.72 ALDH3A1 (0.44) CYP19A1ALDH1A1HCAR3MAPTALDH3A1
SCHEMBL95714 0.71 CYP1A2 (0.54) ALDH1A1MAPTTP53HTT

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
EP-3398940-B1 HIGH STRESS RESISTANT PLANT GROWTH REGULATOR AND PREPARATION METHOD AND USE THEREOF CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2022-06-22 EP disclosed