SCHEMBL9504647

SCHEMBL9504647

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
EPHX2 P34913 4/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
CNR1 P21554 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
SCHEMBL9507710 0.88 ALDH1A1 (0.31) ALDH1A1CA12CA9
SCHEMBL9504632 0.85 CA12 (0.35) ALDH1A1EPHX2CA12CA1CA9
SCHEMBL497713 0.77 ALDH1A1 (0.44) TSHRALDH1A1F7F3
SCHEMBL137211 0.74 ZDHHC20 (0.39) TSHRALDH1A1CA12CA9
Hydrochloric Acid SCHEMBL27592322 0.72 ZDHHC20 (0.38) TSHRALDH1A1CA12CA9
Ethylene SCHEMBL27273543 0.72 ZDHHC20 (0.38) TSHRALDH1A1CA12CA9
SCHEMBL498179 0.71 CA12 (0.42) TSHRALDH1A1F7F3CA12
SCHEMBL1415982 0.71 ALDH1A1 (0.43) TSHRALDH1A1F7F3
Chloromethane SCHEMBL5007041 0.71 ZDHHC20 (0.37) TSHRALDH1A1CA12CA9
SCHEMBL3278967 0.71 ZDHHC20 (0.44) TSHRALDH1A1EPHX2CA12CA1

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