SCHEMBL6853292

SCHEMBL6853292

C=C(C)C(=O)NN1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
NFKB1 P19838 1/20 0.34
LIPE Q05469 2/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
TGFBR1 P36897 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL842713 0.98 HTT (0.40) HTTL3MBTL1ALDH1A1KDM4ETP53
SCHEMBL27897257 0.83 CA12 (0.53) HTTGAALIPECA12CA2
SCHEMBL1147606 0.81 CYP2D6 (0.45) HTTL3MBTL1LIPECA12CA2
SCHEMBL9872789 0.80 HTT (0.45) HTTL3MBTL1ALDH1A1KDM4ETP53
SCHEMBL8396990 0.77 HTT (0.46) HTTL3MBTL1ALDH1A1KDM4ETP53
Benzene SCHEMBL7370712 0.77 GNAI3 (0.41) HTTL3MBTL1ALDH1A1KDM4EGAA
SCHEMBL5321367 0.76 HTT (0.40) HTTL3MBTL1ALDH1A1KDM4ETP53
SCHEMBL715894 0.75
SCHEMBL6123494 0.73 HTT (0.45) HTTL3MBTL1ALDH1A1KDM4ETP53
SCHEMBL13574319 0.73 HTT (0.36) HTTL3MBTL1ALDH1A1KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102906214-B Liquid coagulant and tire puncture sealing material set YOKOHAMA RUBBER CO LTD 2014-04-30 CN disclosed
CN-102276852-B Capillary tube dynamic coating polymer gel and preparation method thereof INST FORENSIC SCIENCE MINISTRY PUBLIC SECURITY PRC 2013-08-21 CN disclosed
CN-102906213-A Liquid coagulant and tire puncture sealing material set YOKOHAMA RUBBER CO LTD 2013-01-30 CN disclosed
CN-102906214-A Liquid coagulant and tire puncture sealing material set YOKOHAMA RUBBER CO LTD 2013-01-30 CN disclosed
US-20120165436-A1 PIGMENT DISPERSION CONTAINING AZO PIGMENT AND AQUEOUS INK FOR INKJET RECORDING USING THE SAME FUJIFILM CORPORATION (JP) 2012-06-28 US disclosed
CN-102276852-A Capillary tube dynamic coating polymer gel and preparation method thereof 2011-12-14 CN disclosed
US-6787016-B2 ELECTROPHORESIS CHANNEL SIEVING AND COATING COMPOSITION OF BUFFERED AQUEOUS SOLUTION OF A SIEVING POLYMER AND A CHANNEL COATING POLYMER IN GIVEN WEIGHT RATIO, WHERE THE COATING POLYMER IS LESS WATER SOLUBLE THAN THE SIEVING POLYMER ACLARA BIOSCIENCES, INC. 2004-09-07 US disclosed
US-20020029968-A1 Dynamic coating with linear polymer mixture for electrophoresis ACLARA BIOSCIENCES, INC. 2002-03-14 US disclosed