SCHEMBL9806499

SCHEMBL9806499

CCOC(=O)CC(=O)c1cccc([N+](=O)[O-])c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CACNA1F O60840 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
THRB P10828 1/20 0.46
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
DHODH Q02127 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CTSD P07339 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL6985762 0.86 TSHR (0.57) ALDH1A1GAASMN1; SMN2MAPK1TSHR
SCHEMBL954897 0.86 ALDH1A1 (0.57) ALDH1A1GAASMN1; SMN2MAPTLMNA
SCHEMBL30736569 0.86 ALDH1A1 (0.57) ALDH1A1GAASMN1; SMN2MAPTLMNA
SCHEMBL4135400 0.83 THRB (0.55) ALDH1A1GAASMN1; SMN2CACNA1FCACNA1D
SCHEMBL7463516 0.83 SMN1; SMN2 (0.47) ALDH1A1GAASMN1; SMN2MAPK1TSHR
SCHEMBL27580106 0.82 TSHR (0.49) ALDH1A1SMN1; SMN2THRBTSHRDHODH
SCHEMBL12952931 0.80 ERCC5 (0.58) ALDH1A1GAASMN1; SMN2TSHRMAPT
SCHEMBL11156928 0.80 NLRP3 (0.47) ALDH1A1GAASMN1; SMN2TSHRLMNA
SCHEMBL31245529 0.79 HPGD (0.53) ALDH1A1SMN1; SMN2MAPTPOLBKMT2A
SCHEMBL15060376 0.79 MAPT (0.54) ALDH1A1GAASMN1; SMN2MAPK1MAPT

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
US-5017604-A Antiinflammatory WARNER-LAMBERT COMPANY (US) 1991-05-21 US disclosed