SCHEMBL9504644

SCHEMBL9504644

CCCC[N]C(=O)N(N)CCCC

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL7305501 0.79 CA12 (0.48) CA12CA1CA9MMP1MMP2
SCHEMBL9507679 0.74 CA12 (0.35) CA12CA1CA9MMP1MMP2
SCHEMBL3269675 0.73 ALDH1A1 (0.35) CA12CA1CA9MMP1MMP2
SCHEMBL7308189 0.72 CA12 (0.42) CA12CA1CA9MMP1MMP2
SCHEMBL7305292 0.72 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL8392864 0.72 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL8944531 0.72 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL454668 0.72
SCHEMBL20362237 0.72
SCHEMBL15893690 0.72

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
EP-0434354-B1 SEPARATION MATERIAL FOR BLOOD COAGULATION FACTOR, PREPARATION AND USE THEREOF KURITA WATER INDUSTRIES LTD. (JP) 1993-08-11 EP claimed
US-5096593-A SEPARATION MATERIAL DERIVED FROM GLUCOMANNAN FOR BLOOD COAGULATION FACTOR, PREPARATION AND USE THEREOF KURITA WATER INDUSTRIES LTD. (JP) 1992-03-17 US claimed
EP-0434354-B1 SEPARATION MATERIAL FOR BLOOD COAGULATION FACTOR, PREPARATION AND USE THEREOF KURITA WATER INDUSTRIES LTD. (JP) 1993-08-11 EP disclosed
US-5096593-A SEPARATION MATERIAL DERIVED FROM GLUCOMANNAN FOR BLOOD COAGULATION FACTOR, PREPARATION AND USE THEREOF KURITA WATER INDUSTRIES LTD. (JP) 1992-03-17 US disclosed
EP-0434354-A1 Separation material for blood coagulation factor, preparation and use thereof KURITA WATER INDUSTRIES LTD. (JP) 1991-06-26 EP disclosed