SCHEMBL7361573

SCHEMBL7361573

O=Cc1ccccc1OCC1CCC(CO[N+](=O)[O-])CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.48
SRC P12931 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
TLR4 O00206 2/20 0.40
TLR2 O60603 2/20 0.40
RIPK1 Q13546 1/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2C P28335 3/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 2/20 0.36

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
SCHEMBL9013565 1.00 ALDH1A1 (0.49) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL29750488 0.87 ALDH1A1 (0.63) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL636591 0.87 ALDH1A1 (0.63) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL7358514 0.80 ALDH1A1 (0.54) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL7358507 0.80 ALDH1A1 (0.54) ALDH1A1HPGDHTTSMN1; SMN2MAPT
Pyrrole SCHEMBL11894210 0.80 ALDH1A1 (0.54) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL3851835 0.80 SRC (0.63) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL9281873 0.80 TLR4 (0.43) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL7363630 0.78 ALDH1A1 (0.70) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL15941304 0.77 ALDH1A1 (0.62) ALDH1A1HPGDHTTSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385922-A Cardiovascular and gastrointestinal disorders; antiischemic and cardiotonic agents CEDONA PHARMACEUTICALS B.V. (NL) 1995-01-31 US disclosed
US-5378718-A Cardiovascular activity, hypotensive CEDONA PHARMACEUTICALS B.V. (NL) 1995-01-03 US disclosed
EP-0547104-A1 THIAZOLIDIN DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1993-06-23 EP disclosed
WO-1992004337-A1 THIAZOLIDIN DERIVATIVES CEDONA PHARMACEUTICALS BV (NL) 1992-03-19 WO disclosed
WO-1992002503-A1 NOVEL 1,4-DIHYDROPYRIDINE DERIVATIVES CEDONA PHARMACEUTICALS BV (NL) 1992-02-20 WO disclosed