SCHEMBL7342179

SCHEMBL7342179

CCOC(=O)C(C(=O)OCC)c1ccc(C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
RXRA P19793 1/20 0.41
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 3/20 0.40
MMP8 P22894 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
AKR1B1 P15121 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6968033 0.89 ALDH1A1 (0.51) TSHRALDH1A1LMNAMAPTAKR1B1
SCHEMBL3726022 0.82 TSHR (0.49) TSHRALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL2298369 0.80 TDP1 (0.45) ALDH1A1SMN1; SMN2GALR2MITFLMNA
SCHEMBL17665562 0.79 GRM8 (0.47) TSHRALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL7649624 0.79 SIRT6 (0.47) ALDH1A1SMN1; SMN2GALR2MITFLMNA
SCHEMBL11302461 0.78 ALDH1A1 (0.50) ALDH1A1LMNAMAPTL3MBTL1TDP1
SCHEMBL30875689 0.78 ALDH1A1 (0.50) ALDH1A1LMNAMAPTL3MBTL1TDP1
SCHEMBL1455839 0.78 MEN1 (0.50) TSHRRXRAALDH1A1LMNANPSR1
SCHEMBL2597715 0.78 KMT2A (0.41) ALDH1A1SMN1; SMN2GALR2MITFLMNA
SCHEMBL7941824 0.78 KMT2A (0.62) TSHRALDH1A1SMN1; SMN2GALR2MITF

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-6284796-B1 NAPHTHAMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-09-04 US disclosed