SCHEMBL9507710

SCHEMBL9507710

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

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CA12 O43570 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
SCHEMBL9504647 0.88 TSHR (0.33) ALDH1A1CA12CA9
SCHEMBL9504632 0.88 CA12 (0.35) ALDH1A1CA12CA9
SCHEMBL137211 0.77 ZDHHC20 (0.39) ALDH1A1HPGDCA12CA2CA9
SCHEMBL5207271 0.76 CA12 (0.44) ALDH1A1HPGDCA12CA2CA9
Hydrochloric Acid SCHEMBL27592322 0.75 ZDHHC20 (0.38) ALDH1A1HPGDCA12CA2CA9
Ethylene SCHEMBL27273543 0.75 ZDHHC20 (0.38) ALDH1A1HPGDCA12CA2CA9
SCHEMBL497803 0.75
Chloromethane SCHEMBL5007041 0.73 ZDHHC20 (0.37) ALDH1A1HPGDCA12CA2CA9
Acetone SCHEMBL28731150 0.73 ZDHHC20 (0.37) ALDH1A1HPGDCA12CA2CA9
Sulfuric Acid SCHEMBL27573793 0.71 ZDHHC20 (0.35) 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