SCHEMBL11028285

SCHEMBL11028285

OCCN(CCO)CCN(CCO)CCO.OCCNCCN(CCO)CCO

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL16075892 1.00 KDM4E (0.33) KDM4EMAPTALOX15SMN1; SMN2CA12
SCHEMBL451439 0.97 CA12 (0.32) KDM4EMAPTALOX15SMN1; SMN2CA12
SCHEMBL10885284 0.95 CA12 (0.31) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL6242410 0.92 CA12 (0.35) KDM4EMAPTALOX15SMN1; SMN2CA12
Trolamine SCHEMBL1668128 0.92 MAPT (0.33) KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL8940029 0.92 CA12 (0.35) CA12CA1CA2CA9
Trolamine SCHEMBL11568005 0.89 MAPT (0.32) KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL2748225 0.86 CYP2C9 (0.37) ALOX15CA12CA1CA2CA9
SCHEMBL11149570 0.86 CYP2C19 (0.46) KDM4EMAPTALOX15SMN1; SMN2CA12
SCHEMBL16041150 0.84 CA12 (0.46) KDM4EMAPTALOX15CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0101723-A4 PROCESS FOR IMPROVING HYDRAULIC CEMENT MIXES. MARTIN MARIETTA CORP (US) 1984-07-03 EP claimed
EP-0101723-A1 PROCESS FOR IMPROVING HYDRAULIC CEMENT MIXES. MARTIN MARIETTA CORP (US) 1984-03-07 EP claimed
WO-1983002938-A1 HYDRAULIC CEMENT MIXES AND PROCESS FOR IMPROVING HYDRAULIC CEMENT MIXES MARTIN MARIETTA CORP (US) 1983-09-01 WO claimed