SCHEMBL7399739

SCHEMBL7399739

COC(=O)CCCc1ccc([N+](=O)[O-])cc1NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 1/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 4/20 0.45
HTT P42858 2/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
ALOX5 P09917 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL18708055 0.86 ALDH1A1 (0.46) POLBALDH1A1TDP1GLAMAPT
SCHEMBL7092077 0.85 ALDH1A1 (0.49) POLBALDH1A1GLAMAPTHTT
SCHEMBL7398376 0.81 ALDH1A1 (0.36) ALDH1A1MAPTHTTKMT2AGAA
SCHEMBL7236704 0.80 POLB (0.42) POLBALDH1A1MAPTLMNA
SCHEMBL8896631 0.78 ALDH1A1 (0.53) POLBALDH1A1TDP1MAPTHTT
SCHEMBL15856240 0.78 NPC1 (0.50) POLBALDH1A1MAPTHTTPKM
SCHEMBL15856237 0.78 MAPT (0.54) POLBALDH1A1MAPTHTTPKM
SCHEMBL5489268 0.78 ALDH1A1 (0.50) POLBALDH1A1MAPTHTTPKM
SCHEMBL6349776 0.77 MEN1 (0.63) POLBALDH1A1MAPTHTTPKM
SCHEMBL14691594 0.77 HPGD (0.61) POLBALDH1A1MAPTHTTPKM

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
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO disclosed