SCHEMBL8719595

SCHEMBL8719595

CCCC(=O)OC[C@@H]1CCCN(C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 5/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ITGB3 P05106 1/20 0.35

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
SCHEMBL8577553 1.00 LMNA (0.45) LMNACHRNB2CHRNA4POLBMEN1
SCHEMBL8574640 1.00 LMNA (0.45) LMNACHRNB2CHRNA4POLBMEN1
Trifluoroacetic Acid SCHEMBL8917318 0.92 CHRNB2 (0.41) LMNACHRNB2CHRNA4POLBMEN1
SCHEMBL8574576 0.83 ALDH1A1 (0.47) MEN1MAPTKMT2ABCHEALDH1A1
SCHEMBL7289702 0.81 ALDH1A1 (0.42) LMNAPOLBALDH1A1NPC1RAB9A
SCHEMBL22982975 0.80 ALDH1A1 (0.45) LMNAPOLBMAPTALDH1A1NPC1
SCHEMBL3655590 0.80 POLB (0.44) LMNACHRNB2CHRNA4POLBKMT2A
SCHEMBL3778464 0.80 POLB (0.44) LMNACHRNB2CHRNA4POLBKMT2A
SCHEMBL8578269 0.79 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3BCHE
SCHEMBL8578262 0.79 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763604-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
US-5677448-A CHEMICAL INTERMEDIATES FOR MAKING ANTAGONIST OF THROMBIN, TREATING THROMBOSIS, STROKE, INFLAMMATION, ARTERIOSCLEROSIS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-10-14 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-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 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-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed
US-5393760-A Cardiovascular disorders, antitumor agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed
US-5260307-A Inhibit thrombin-induced platlet aggregation and clotting of fibrogen in plasma HOFMANN-LA ROCHE INC. (US) 1993-11-09 US disclosed