SCHEMBL14634236

SCHEMBL14634236

O=NC(=O)c1cc(=O)cc(C(=O)O)[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.72
NFKB1 P19838 1/20 0.72
BLM P54132 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
CYP2C19 P33261 2/20 0.41
TSHR P16473 1/20 0.39
GPR35 Q9HC97 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
AHR P35869 1/20 0.37

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
Chelidamic Acid SCHEMBL742928 0.85 ALOX15 (1.00) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
Chelidamic Acid SCHEMBL1176783 0.83 ALOX15 (0.95) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
Chelidamic Acid SCHEMBL9658074 0.83 ALOX15 (0.95) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL14310858 0.69 LMNA (0.61) SMN1; SMN2ALDH1A1LMNACYP2C19TSHR
SCHEMBL13075694 0.68 ALOX15 (0.65) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
Chelidamic Acid SCHEMBL1535360 0.66 ALOX15 (0.60) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL4264907 0.65 ALOX15 (0.61) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1
SCHEMBL14997461 0.64 CA12 (0.46) ALOX15SMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL16134732 0.64 CA12 (0.46) ALOX15SMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL13872418 0.64 SMN1; SMN2 (0.61) ALOX15NFKB1BLMSMN1; SMN2ALDH1A1

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
WO-2007011691-A2 IMPLANTABLE DEVICE FOR DETECTING AN ANALYTE IN VIVO SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2007-01-25 WO disclosed