SCHEMBL2497943

SCHEMBL2497943

C=C(CCCCNCCN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.48
HDAC6 Q9UBN7 1/20 0.44
CA12 O43570 5/20 0.42
CA6 P23280 5/20 0.42
CA7 P43166 5/20 0.42
CA9 Q16790 5/20 0.42
CA14 Q9ULX7 5/20 0.42
CA5B Q9Y2D0 5/20 0.42
CA2 P00918 4/20 0.42
CA4 P22748 4/20 0.42
CA5A P35218 4/20 0.42
CA3 P07451 3/20 0.42
ALOX15 P16050 3/20 0.41
MEN1 O00255 2/20 0.41
RECQL P46063 2/20 0.41
KMT2A Q03164 2/20 0.41
F13A1 P00488 2/20 0.41
CYP1A2 P05177 2/20 0.41
THPO P40225 2/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL2495440 0.94 CA12 (0.44) PAOXHDAC6CA12CA6CA7
SCHEMBL635765 0.82 PAOX (0.50) PAOXALOX15ALDH1A1TSHR
SCHEMBL432887 0.82 TSHR (0.44) PAOXALOX15MEN1KMT2AHSD17B10
SCHEMBL11132679 0.81 TSHR (0.43) ALOX15MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL1899577 0.81 TSHR (0.43) ALOX15MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL10752134 0.81 TSHR (0.48) ALOX15MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL50171 0.81 NFKB1 (0.56) PAOXHDAC6CA12CA6CA7
SCHEMBL14480411 0.80 PAOX (0.42) PAOXHDAC6CA12CA6CA7
SCHEMBL636777 0.80 CYP2C19 (0.44) PAOXMEN1KMT2ACYP1A2CYP2C19
SCHEMBL3140244 0.79 LMNA (0.42) HDAC6ALOX15KMT2ACYP1A2HSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8029961-B2 Toner for developing latent electrostatic image, method for producing the same and apparatus for producing the same, and developer, toner container, process cartridge, image forming method and image forming apparatus RICOH COMPANY, LTD. (JP) 2011-10-04 US disclosed
US-20090170018-A1 TONER FOR DEVELOPING LATENT ELECTROSTATIC IMAGE, METHOD FOR PRODUCING THE SAME AND APPARATUS FOR PRODUCING THE SAME, AND DEVELOPER, TONER CONTAINER, PROCESS CARTRIDGE, IMAGE FORMING METHOD AND IMAGE FORMING APPARATUS RICOH COMPANY, LTD. (JP) 2009-07-02 US disclosed
EP-1186638-B1 Use of a printing ink, printing method and printed packaging material TOYO SEIKAN KAISHA LTD (JP) 2006-06-07 EP disclosed
EP-1186638-A1 Printing ink, printing method and printed packaging material TOYO SEIKAN KAISHA LIMITED (JP) 2002-03-13 EP disclosed
US-5364719-A Charge control dye is a metal azo with sodium styrenesulfonate copolymer with styrene as binder MITA INDUSTRIAL CO., LTD. (JP) 1994-11-15 US disclosed
EP-0430700-A2 Toner for developing electrostatic images MITA INDUSTRIAL CO., LTD. (JP) 1991-06-05 EP disclosed