SCHEMBL11040260

SCHEMBL11040260

CCc1c(Cc2cccc(NC(=O)O)c2CC)cccc1NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.45
PTGS2 P35354 2/20 0.44
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
DHFR P00374 1/20 0.41
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 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
SCHEMBL2018495 0.93 CLCN2 (0.47) CLCN2PTGS2KCNK3KCNK9L3MBTL1
SCHEMBL2021365 0.83 CLCN2 (0.43) CLCN2PTGS2KCNK3KCNK9POLB
SCHEMBL15093896 0.81 HTT (0.53) CLCN2POLBALDH1A1DHFRGABRA1
SCHEMBL29580700 0.81 HTT (0.53) CLCN2POLBALDH1A1DHFRGABRA1
SCHEMBL2023835 0.81 POLB (0.48) CLCN2PTGS2KCNK3KCNK9POLB
SCHEMBL2024699 0.80 BID (0.50) POLBALOX15MAPT
SCHEMBL3940043 0.80 MAPK1 (0.50) CLCN2POLBALDH1A1TSHRCYP2C19
SCHEMBL2021133 0.79 BID (0.52) POLBALOX15MAPT
SCHEMBL2023252 0.79 BID (0.52) POLBALOX15MAPT
SCHEMBL948318 0.79 MAPT (0.59) KCNK3KCNK9L3MBTL1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0027330-A1 Process for the production of methylenedicarbanilates and the compounds thus obtained MITSUBISHI KASEI CORPORATION (JP) 1981-04-22 EP claimed
EP-0027330-B1 PROCESS FOR THE PRODUCTION OF METHYLENEDICARBANILATES AND THE COMPOUNDS THUS OBTAINED MITSUBISHI KASEI CORPORATION (JP) 1984-12-12 EP disclosed
US-4476317-A HETEROPOLYMOLYBDIC ACID OR HETEROPOLYTUNGSTIC ACID MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1984-10-09 US disclosed
EP-0027330-A1 Process for the production of methylenedicarbanilates and the compounds thus obtained MITSUBISHI KASEI CORPORATION (JP) 1981-04-22 EP disclosed