SCHEMBL7447406

SCHEMBL7447406

CCOC(=O)COc1ccc(N)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.54
ALDH1A1 P00352 7/20 0.49
LMNA P02545 4/20 0.48
MAPT P10636 4/20 0.48
CYP3A4 P08684 3/20 0.48
HPGD P15428 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TLR9 Q9NR96 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
NTSR1 P30989 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.48
S1PR4 O95977 1/20 0.48
ITGA4 P13612 1/20 0.48
S1PR1 P21453 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL182652 0.85 MAPT (0.52) MAPK1ALDH1A1LMNAMAPTCYP3A4
SCHEMBL4261703 0.84 MAPT (0.51) MAPK1ALDH1A1LMNAMAPTCYP3A4
SCHEMBL6960 0.84 ALDH1A1 (0.56) MAPK1ALDH1A1LMNAMAPTCYP3A4
SCHEMBL27732122 0.83 POLB (0.58) MAPK1ALDH1A1LMNAMAPTCYP3A4
SCHEMBL182622 0.83 RAB9A (0.56) MAPK1ALDH1A1LMNAMAPTCYP3A4
SCHEMBL2925357 0.83 ALDH1A1 (0.53) MAPK1ALDH1A1LMNAMAPTCYP3A4
SCHEMBL4313215 0.83 LMNA (0.58) MAPK1ALDH1A1LMNAMAPTCYP3A4
Methane SCHEMBL27705473 0.82 LMNA (0.56) MAPK1ALDH1A1LMNAMAPTCYP3A4
SCHEMBL6813898 0.81 CYP4F2 (0.48) MAPK1ALDH1A1LMNAMAPTCYP3A4
SCHEMBL10920881 0.81 ALDH1A1 (0.57) MAPK1ALDH1A1LMNAMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912182-A4 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO INC (US) 1999-12-29 EP disclosed
US-5990107-A ADMINISTERING TO INHIBIT THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS IN A MAMMAL; OR TO INHIBIT OSTEOCLAST MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1999-11-23 US disclosed
EP-0912175-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-09-08 EP disclosed
EP-0912175-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
EP-0912182-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
US-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 US disclosed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 WO disclosed
WO-1998000144-A1 FIBRINOGEN RECEPTOR ANTAGONIST PRODRUGS MERCK & CO., INC. (US) 1998-01-08 WO disclosed