SCHEMBL9543595

SCHEMBL9543595

C=CCN(C(=O)O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
MAPT P10636 1/20 0.44
SNCA P37840 1/20 0.39
ALDH1A1 P00352 8/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CTSD P07339 1/20 0.39
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
MAOB P27338 1/20 0.38
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 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
SCHEMBL4790892 0.80 KDM4E (0.50) KDM4EMAPTSNCAALDH1A1KMT2A
SCHEMBL1694355 0.80 ALDH1A1 (0.48) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL22804500 0.79 TDP1 (0.42) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL16832016 0.78 ALDH1A1 (0.46) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL16832014 0.78 ALDH1A1 (0.46) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL28783807 0.78 HCAR3 (0.48) ALDH1A1KMT2AMEN1LMNA
SCHEMBL8618010 0.78 ALDH1A1 (0.44) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL8812752 0.77 KDM4E (0.44) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL7162154 0.76 TSHR (0.41) KDM4EALDH1A1KMT2AMEN1CYP1A2
SCHEMBL11498178 0.75 TRPM8 (0.53) KDM4EALDH1A1KMT2AMEN1TSHR

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-1993013067-A1 4-SUBSTITUTED PIPERIDINECARBOXYLIC ACID ESTERS: INHIBITION OF CHOLESTEROL ABSORPTION AMERICAN HOME PRODUCTS CORPORATION (US) 1993-07-08 WO disclosed