SCHEMBL7293785

SCHEMBL7293785

[CH]CN1C(=O)C(=O)c2cc(C)ccc21

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.60
ALDH1A1 P00352 8/20 0.58
MAPT P10636 7/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
LMNA P02545 4/20 0.58
POLB P06746 3/20 0.58
RCE1 Q9Y256 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSP90AA1 P07900 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
TP53 P04637 2/20 0.53
KDM4E B2RXH2 1/20 0.52
AGTR1 P30556 1/20 0.49
PDE5A O76074 1/20 0.49

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
SCHEMBL29862307 0.84 PARK7 (0.68) ACHEALDH1A1MAPTKMT2AMEN1
SCHEMBL396957 0.84 PARK7 (0.68) ACHEALDH1A1MAPTKMT2AMEN1
SCHEMBL4625552 0.83 ALDH1A1 (0.62) ACHEALDH1A1MAPTKMT2AMEN1
SCHEMBL20553838 0.82 MAOA (0.62) ACHEALDH1A1MAPTKMT2AMEN1
SCHEMBL13546141 0.81 ALDH1A1 (0.65) ACHEALDH1A1MAPTKMT2AMEN1
SCHEMBL16048726 0.80 ALDH1A1 (0.60) ACHEALDH1A1MAPTKMT2AMEN1
SCHEMBL16329852 0.80 ACHE (0.83) ACHEALDH1A1MAPTKMT2AMEN1
SCHEMBL4624784 0.80 ALDH1A1 (0.63) ACHEALDH1A1MAPTKMT2AMEN1
SCHEMBL11787618 0.79 ALDH1A1 (0.70) ACHEALDH1A1MAPTKMT2AMEN1
SCHEMBL28205978 0.79 ALDH1A1 (0.68) ACHEALDH1A1MAPTKMT2AMEN1

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
US-5393760-A Cardiovascular disorders, antitumor agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US claimed
EP-0468231-B1 Guanidins HOFFMANN LA ROCHE (CH) 1994-09-21 EP claimed
US-5260307-A Inhibit thrombin-induced platlet aggregation and clotting of fibrogen in plasma HOFMANN-LA ROCHE INC. (US) 1993-11-09 US claimed
US-5763436-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
US-5595999-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1997-01-21 US disclosed
US-5583133-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-12-10 US disclosed
US-5532232-A INHIBIT THROMBIN INDUCED PLATELET AGGREGATION; FIBRINOGEN ANTICOAGULANTS IN BLOOD HOFFMANN-LA ROCHE INC. (US) 1996-07-02 US disclosed
US-5393760-A Cardiovascular disorders, antitumor agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed