SCHEMBL7552902

SCHEMBL7552902

CCc1[nH]c(=S)[nH]c(=O)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
KDM3B Q7LBC6 1/20 0.38
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HCAR2 Q8TDS4 3/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
FFAR3 O14843 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL7544947 0.80 ALDH1A1 (0.50) L3MBTL1LMNACYP2C19KDM4EKMT2A
SCHEMBL29020548 0.75 LMNA (0.48) LMNACYP2C19HCAR2FFAR3HSD17B10
SCHEMBL11733305 0.72 L3MBTL1 (0.63) L3MBTL1CYP2C19KDM4EHCAR2KMT2A
SCHEMBL11904079 0.72 HCAR2 (0.37) LMNAKDM4EHCAR2HSD17B10ALDH1A1
SCHEMBL21328424 0.67 SIRT1 (0.44) L3MBTL1KDM4EKMT2ATDP1MEN1
SCHEMBL8885156 0.67 LMNA (0.36) LMNAKDM4EHCAR2TDP1HSD17B10
SCHEMBL29948585 0.66 GRIN2D (0.42) L3MBTL1CYP2C19HCAR2KMT2AMEN1
SCHEMBL9136929 0.66 DAO (0.40) L3MBTL1LMNAHCAR2POLBHSD17B10
SCHEMBL7545210 0.66 HSD17B10 (0.49) LMNAKDM3BCYP2C19KDM4ETDP1
SCHEMBL11736480 0.66 KDM4E (0.49) L3MBTL1KDM4EHCAR2KMT2ATDP1

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
EP-0896043-B1 Adhesive TOKUYAMA CORP (JP) 2002-10-23 EP disclosed
EP-0802194-B1 Novel thiouracil derivatives and metal surface-treating agent comprising thereof TOKUYAMA CORP (JP) 2002-06-19 EP disclosed
US-6133338-A TYPIFIED BY 6-METHACRYLOYLOXYHEXYL 2-THIOURACIL-5-CARBOXYLATE, A RADICAL-POLYMERIZABLE MONOMER, AND A POLYMERIZATION INITIATOR; DENTAL ADHESIVE; GOOD ADHESIVENESS TO NOBLE METALS AND ALLOYS THEREOF TOKUYAMA CORPORATION (JP) 2000-10-17 US disclosed
EP-0896043-A1 Adhesive TOKUYAMA CORPORATION (JP) 1999-02-10 EP disclosed
US-5795497-A Thiouracil derivatives and metal surface-treating agent comprising thereof TOKUYAMA CORPORATION (JP) 1998-08-18 US disclosed
EP-0802194-A2 Novel thiouracil derivatives and metal surface-treating agent comprising thereof TOKUYAMA CORPORATION (JP) 1997-10-22 EP disclosed