SCHEMBL9211692

SCHEMBL9211692

CCC(=O)C(C)C(O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
ALDH1A1 P00352 4/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACP3 P15309 1/20 0.45
GRM8 O00222 3/20 0.44
GRM6 O15303 3/20 0.44
GRM4 Q14833 3/20 0.44

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
Bicarbonate SCHEMBL11547091 0.84 L3MBTL1 (0.48) L3MBTL1MEN1KMT2AHPGDLMNA
SCHEMBL8044440 0.82 NPC1 (0.49) L3MBTL1MEN1KMT2AHPGDLMNA
SCHEMBL8790902 0.82 MEN1 (0.60) L3MBTL1MEN1KMT2AHPGDLMNA
Bicarbonate SCHEMBL11340098 0.80 L3MBTL1 (0.47) L3MBTL1MEN1KMT2AHPGDLMNA
SCHEMBL11264969 0.78 ALDH1A1 (0.48) L3MBTL1MEN1KMT2AHPGDLMNA
SCHEMBL2545597 0.77 MEN1 (0.61) L3MBTL1MEN1KMT2AHPGDLMNA
SCHEMBL27525245 0.77 MEN1 (0.61) L3MBTL1MEN1KMT2AHPGDLMNA
SCHEMBL3474640 0.77 MEN1 (0.61) L3MBTL1MEN1KMT2AHPGDLMNA
SCHEMBL31580477 0.77 MEN1 (0.61) L3MBTL1MEN1KMT2AHPGDLMNA
SCHEMBL6302886 0.77 MEN1 (0.61) L3MBTL1MEN1KMT2AHPGDLMNA

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-0665834-A1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1995-08-09 EP disclosed