SCHEMBL9506005

SCHEMBL9506005

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 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
SCHEMBL9504607 0.94 ALDH1A1 (0.32) ALDH1A1CA12CA1CA9
SCHEMBL9507679 0.92 CA12 (0.35) ALDH1A1CA12CA1CA9
SCHEMBL3269675 0.80 ALDH1A1 (0.35) ALDH1A1CA12CA1CA9
SCHEMBL7305501 0.74 CA12 (0.48) ALDH1A1CA12CA1CA9
SCHEMBL7303961 0.71 ALDH1A1 (0.43) ALDH1A1
SCHEMBL7308189 0.71 CA12 (0.42) ALDH1A1CA12CA1CA9
SCHEMBL9504644 0.71 CA12 (0.36) ALDH1A1CA12CA1CA9
SCHEMBL9624062 0.69 ALDH1A1 (0.41) ALDH1A1
SCHEMBL9504647 0.69 TSHR (0.33) ALDH1A1CA12CA1CA9
SCHEMBL2456376 0.68 ALDH1A1 (0.50) ALDH1A1

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