SCHEMBL10685191

SCHEMBL10685191

CCCCCCCCCCCCCCOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.62
BCL9 O00512 1/20 0.57
CTNNB1 P35222 1/20 0.57
MAPT P10636 4/20 0.53
HTR2A P28223 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
ALOX12 P18054 1/20 0.48
KMT2A Q03164 1/20 0.48
ESR1 P03372 1/20 0.47
PKM P14618 1/20 0.46
CACNA1F O60840 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46

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
SCHEMBL21433828 1.00 MGLL (0.62) MGLLBCL9CTNNB1MAPTHTR2A
SCHEMBL21777065 1.00 MGLL (0.62) MGLLBCL9CTNNB1MAPTHTR2A
SCHEMBL26976962 1.00 MGLL (0.62) MGLLBCL9CTNNB1MAPTHTR2A
SCHEMBL26980348 1.00 MGLL (0.62) MGLLBCL9CTNNB1MAPTHTR2A
SCHEMBL21433779 1.00 MGLL (0.62) MGLLBCL9CTNNB1MAPTHTR2A
SCHEMBL21433889 1.00 MGLL (0.62) MGLLBCL9CTNNB1MAPTHTR2A
SCHEMBL9846659 1.00 MGLL (0.62) MGLLBCL9CTNNB1MAPTHTR2A
SCHEMBL2234364 1.00 MGLL (0.62) MGLLBCL9CTNNB1MAPTHTR2A
SCHEMBL1958366 0.99 MGLL (0.60) MGLLBCL9CTNNB1MAPTHTR2A
SCHEMBL1144551 0.96 MGLL (0.62) MGLLBCL9CTNNB1MAPTHTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4761404-A RESPIRATORY SYSTEM DISORDERS, ANTIPYRETICS, ANALGESICS MERCK & CO., INC. (US) 1988-08-02 US disclosed
EP-0208961-A2 Phospholipid analogs useful as paf synthesis inhibitors MERCK & CO. INC. (US) 1987-01-21 EP disclosed