SCHEMBL7423587

SCHEMBL7423587

C[C@H](NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.53
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.46
HTR2A P28223 1/20 0.46
CYP1A2 P05177 1/20 0.46
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
ALOX5 P09917 1/20 0.46
FAAH O00519 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
ELANE P08246 1/20 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
SCHEMBL7174053 0.87 MGLL (0.57) MGLLALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL29935348 0.87 MGLL (0.57) MGLLALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL1801469 0.86 HTR2A (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AHTR2A
SCHEMBL10794620 0.86 HTR2A (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AHTR2A
SCHEMBL19872409 0.85 MGLL (0.57) MGLLALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL18375511 0.84 ALDH1A1 (0.67) MGLLALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL29935467 0.84 MGLL (0.60) MGLLALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL7782932 0.83 HTR2A (0.53) MGLLALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL7257343 0.83 MGLL (0.57) MGLLALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL24058871 0.83 MGLL (0.52) MGLLALDH1A1SMN1; SMN2GAAMEN1

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-0331105-A2 1,2-Hydroxy phosphonates and derivatives thereof E.R. Squibb & Sons, Inc. (US) 1989-09-06 EP disclosed