SCHEMBL7301816

SCHEMBL7301816

[CH]CNC(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
HTT P42858 1/20 0.61
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
TGM2 P21980 1/20 0.54
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
PLAU P00749 1/20 0.52
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
MAPK1 P28482 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL13055383 0.85 LMNA (0.80) LMNASMN1; SMN2HTTCA12CA1
SCHEMBL250620 0.83 LMNA (0.67) LMNASMN1; SMN2HTTCA12CA1
SCHEMBL8197237 0.83 LMNA (0.67) LMNASMN1; SMN2HTTCA12CA1
Benzyl Benzylcarbamate SCHEMBL1136818 0.83 PLAU (0.70) LMNASMN1; SMN2HTTCA12CA1
SCHEMBL2295789 0.82 CA12 (0.66) LMNASMN1; SMN2HTTCA12CA1
SCHEMBL126974 0.81 HTT (0.66) LMNASMN1; SMN2HTTCA12CA1
Benzyl Benzylcarbamate SCHEMBL9998166 0.81 PLAU (0.68) LMNASMN1; SMN2HTTCA12CA1
Benzyl Benzylcarbamate SCHEMBL19810513 0.81 PLAU (0.68) LMNASMN1; SMN2HTTCA12CA1
SCHEMBL137308 0.81 LMNA (0.65) LMNASMN1; SMN2HTTCA12CA1
SCHEMBL6741072 0.81 LMNA (0.65) LMNASMN1; SMN2HTTCA12CA1

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-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
US-5260307-A Inhibit thrombin-induced platlet aggregation and clotting of fibrogen in plasma HOFMANN-LA ROCHE INC. (US) 1993-11-09 US disclosed