Sugi Predict

Sugi Predict / Compounds / SCHEMBL8169571

SCHEMBL8169571

SCHEMBL8169571

[CH2]CCN(C(=N)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA14 Q9ULX7 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.31
▸ CA2 P00918 1/20 0.30

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
SCHEMBL1867766 0.89 CA14 (0.35) CA14CA1CA7CA12TDP1
SCHEMBL991812 0.86 CA14 (0.38) CA14CA1CA7CA12TDP1
SCHEMBL29850083 0.86 TDP1 (0.38) CA14CA1CA7CA12TDP1
SCHEMBL21664460 0.85 CA14 (0.35) CA14CA1CA7CA12TDP1
SCHEMBL8670353 0.85 CA14 (0.35) CA14CA1CA7CA12TDP1
SCHEMBL9426075 0.85 CA1 (0.35) CA14CA1CA7CA12TDP1
SCHEMBL30981829 0.84 TDP1 (0.43) CA14CA1CA7CA12TDP1
SCHEMBL8884501 0.82 CA1 (0.33) CA14CA1CA7CA12TDP1
SCHEMBL28495713 0.82 TDP1 (0.45) CA14CA1CA7CA12TDP1
SCHEMBL5846389 0.82 CA14 (0.33) CA14CA1CA7CA12TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 — — US disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 — — US disclosed