SCHEMBL10649262

SCHEMBL10649262

C=CCOC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
TSHR P16473 2/20 0.48
POLB P06746 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSD P07339 1/20 0.38
RAB9A P51151 2/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DNA2 P51530 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
SCHEMBL8788585 0.92 CYP3A4 (0.58) CYP3A4ALDH1A1MAPTTSHRPOLB
SCHEMBL10653039 0.88 CYP3A4 (0.50) CYP3A4ALDH1A1MAPTTSHRPOLB
SCHEMBL8786627 0.83 TDP1 (0.56) CYP3A4ALDH1A1MAPTTSHRPOLB
SCHEMBL10569056 0.83 ALDH1A1 (0.54) CYP3A4ALDH1A1MAPTTSHRPOLB
SCHEMBL8992692 0.82 CYP3A4 (0.59) CYP3A4ALDH1A1MAPTTSHRPOLB
SCHEMBL4288671 0.82 CYP3A4 (0.68) CYP3A4ALDH1A1MAPTTSHRPOLB
SCHEMBL27266429 0.81 CYP3A4 (0.58) CYP3A4ALDH1A1MAPTTSHRPOLB
SCHEMBL11757412 0.81 CYP3A4 (0.58) CYP3A4ALDH1A1MAPTTSHRHSD17B10
SCHEMBL5098446 0.80 CYP3A4 (0.50) CYP3A4ALDH1A1MAPTTSHRHSD17B10
SCHEMBL4799847 0.80 ALDH1A1 (0.57) CYP3A4ALDH1A1MAPTTSHRPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0133310-B1 IMIDAZOLIDINONES, AND IMIDAZOLIDINETHIONES, PROCESS FOR THE PREPARATION THEREOF, AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1988-09-14 EP disclosed
US-4608079-A Imidazolidinones, and imidazolidinethiones, process and intermediates for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1986-08-26 US disclosed
US-4554013-A Herbicidal imidazolinyl naphthoic acids AMERICAN CYANAMID COMPANY (US) 1985-11-19 US disclosed
EP-0133310-A1 Imidazolidinones, and imidazolidinethiones, process for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1985-02-20 EP disclosed
EP-0133311-A2 Substituted imidazolinyl benzoic acids, esters and salts and use thereof as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1985-02-20 EP disclosed