SCHEMBL9467787

SCHEMBL9467787

O=C(O)N(CCO)CCNCCN(CCO)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.42
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
Diethanolamine SCHEMBL1696414 0.91 REN (0.36) RENCA12CA1CA2CA9
SCHEMBL2493116 0.84 CA12 (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL621722 0.82 CA12 (0.39) CA12CA1CA2CA9KDM4E
SCHEMBL5809103 0.79 REN (0.38) RENCA12CA1CA9KDM4E
SCHEMBL17633971 0.76 REN (0.39) RENHDAC3HDAC4HDAC1HDAC7
SCHEMBL6247927 0.75 CAMK2A (0.38) RENCA12CA1CA2CA9
SCHEMBL6883197 0.75 CA12 (0.35) RENCA12CA1CA2CA9
SCHEMBL11512646 0.74
SCHEMBL3510313 0.73 ALDH1A1 (0.33) CA12CA1CA2CA9KDM4E
SCHEMBL77048 0.73 CA12 (0.46) CA12CA1CA2CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5258514-A For thermosetting resins AMERICAN CYANAMID COMPANY (US) 1993-11-02 US disclosed
EP-0246483-B1 URETHANE-FUNCTIONAL S-TRIAZINE CROSSLINKING AGENTS AND CURABLE COMPOSITIONS CONTAINING THE SAME AMERICAN CYANAMID COMPANY (US) 1993-03-17 EP disclosed
US-5138055-A Urethane-functional s-triazine crosslinking agents AMERICAN CYANAMID COMPANY (US) 1992-08-11 US disclosed
US-4742118-A THERMOSETTABLE; LIGHT STABLE COATINGS AMERICAN CYANAMID COMPANY (US) 1988-05-03 US disclosed
EP-0246483-A2 Urethane-functional s-triazine crosslinking agents and curable compositions containing the same AMERICAN CYANAMID COMPANY (US) 1987-11-25 EP disclosed