SCHEMBL9507679

SCHEMBL9507679

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
ALDH1A1 P00352 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
EPHX2 P34913 1/20 0.32
KDM5A P29375 2/20 0.31
KDM4C Q9H3R0 2/20 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
SCHEMBL9506005 0.92 ALDH1A1 (0.33) CA12CA1CA9ALDH1A1
SCHEMBL9504607 0.87 ALDH1A1 (0.32) CA12CA1CA9ALDH1A1EPHX2
SCHEMBL7305501 0.78 CA12 (0.48) CA12CA1CA9ALDH1A1MMP1
SCHEMBL3269675 0.76 ALDH1A1 (0.35) CA12CA1CA9ALDH1A1MMP1
SCHEMBL9504644 0.74 CA12 (0.36) CA12CA1CA9ALDH1A1MMP1
SCHEMBL7303961 0.71 ALDH1A1 (0.43) ALDH1A1
SCHEMBL7308189 0.71 CA12 (0.42) CA12CA1CA9ALDH1A1MMP1
SCHEMBL27553283 0.71 CA1 (0.40) CA12CA1CA9ALDH1A1MMP1
SCHEMBL7305292 0.71 CA12 (0.45) CA12CA1CA9ALDH1A1MMP1
SCHEMBL8944531 0.71 CA12 (0.45) CA12CA1CA9ALDH1A1MMP1

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