SCHEMBL9504632

SCHEMBL9504632

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
EPHX2 P34913 4/20 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
CNR1 P21554 1/20 0.31
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
SCHEMBL9507710 0.88 ALDH1A1 (0.31) CA12CA9ALDH1A1
SCHEMBL9504647 0.85 TSHR (0.33) CA12CA1CA9EPHX2ALDH1A1
SCHEMBL3278967 0.78 ZDHHC20 (0.44) CA12CA1CA9EPHX2ALDH1A1
SCHEMBL5206225 0.78 CA12 (0.48) CA12CA1CA9EPHX2ALDH1A1
SCHEMBL10593378 0.74 CA1 (0.36) CA12CA1CA9EPHX2ALDH1A1
SCHEMBL497803 0.72
SCHEMBL17049103 0.72 ZDHHC20 (0.53) EPHX2
SCHEMBL27553283 0.71 CA1 (0.40) CA12CA1CA9EPHX2ALDH1A1
SCHEMBL9507679 0.69 CA12 (0.35) CA12CA1CA9EPHX2ALDH1A1
SCHEMBL497713 0.69 ALDH1A1 (0.44) ALDH1A1MMP2

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