Sugi Predict

Sugi Predict / Compounds / SCHEMBL3098005

SCHEMBL3098005

SCHEMBL3098005

CCOP(=O)(CNC(=O)CCNC(=N)N)OCC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ENTPD2 Q9Y5L3 2/20 0.35
▸ TSHR P16473 2/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PLAU P00749 1/20 0.32
▸ FPR2 P25090 4/20 0.32

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
SCHEMBL3102797 0.91 ENTPD2 (0.42) CA12CA1CA2CA9ENTPD2
SCHEMBL5273397 0.81 TSHR (0.38) CA12CA1CA2CA9ENTPD2
SCHEMBL5275146 0.80 TSHR (0.40) CA12CA1CA2CA9ENTPD2
SCHEMBL3008229 0.79 TSHR (0.39) CA12CA1CA2CA9ENTPD2
SCHEMBL15127565 0.79 TSHR (0.41) CA12CA1CA2CA9ENTPD2
Hydrochloric Acid SCHEMBL3008227 0.78 TSHR (0.38) CA12CA1CA2CA9ENTPD2
SCHEMBL3105925 0.77 PRSS1 (0.35) —
SCHEMBL3029084 0.76 CYP1A2 (0.42) CA12CA1CA2CA9ENTPD2
SCHEMBL3018969 0.75 TSHR (0.41) CA12CA1CA2CA9ENTPD2
SCHEMBL10715864 0.75 CA12 (0.43) CA12CA1CA2CA9ENTPD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 — — US claimed