SCHEMBL5830962

SCHEMBL5830962

C=CCc1cccc(C(=O)SCC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGS2 P35354 1/20 0.43
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
ALDH1A1 P00352 4/20 0.39
PTGS1 P23219 2/20 0.39
ALOX5 P09917 1/20 0.39

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
Ditophal SCHEMBL2109565 0.80 NOS3 (0.46) KMT2ATDP1L3MBTL1HDAC3HDAC4
SCHEMBL10716655 0.80 CYP3A4 (0.46) CYP3A4MEN1KMT2ATDP1L3MBTL1
SCHEMBL10881089 0.79 CYP3A4 (0.48) CYP3A4MEN1KMT2ATDP1L3MBTL1
SCHEMBL12715006 0.79 TDP1 (0.47) CYP3A4MEN1KMT2ATDP1L3MBTL1
Benzene SCHEMBL28254095 0.77 FOLH1 (0.59) CYP3A4MEN1KMT2ATDP1L3MBTL1
SCHEMBL715984 0.77 FOLH1 (0.59) CYP3A4MEN1KMT2ATDP1L3MBTL1
SCHEMBL3293258 0.76 CYP4F2 (0.61) CYP3A4MEN1KMT2ATDP1L3MBTL1
SCHEMBL2162506 0.76 MEN1 (0.44) CYP3A4MEN1KMT2ATDP1L3MBTL1
SCHEMBL28233593 0.76 PARP1 (0.48) CYP3A4MEN1KMT2ATDP1L3MBTL1
SCHEMBL5831308 0.76 MEN1 (0.44) CYP3A4MEN1KMT2ATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7081503-B2 Process producing vinyl polymer having alkenyl group at end, vinyl polymer, and curable composition KANEKA CORPORATION (JP) 2006-07-25 US disclosed
US-7009004-B2 Process for producing vinyl polymer having alkenyl group at end vinyl polymer and curable composition KANEKA CORPORATION (JP) 2006-03-07 US disclosed
US-20060004171-A1 Process for producing vinyl polymer having alkenyl group at end, vinyl polymer, and curable composition TSUJI RYOTARO 2006-01-05 US disclosed
US-20050004318-A1 Curable composition OHSHIRO NOBUAKI (JP) 2005-01-06 US disclosed
EP-1452550-A1 CURABLE COMPOSITION KANEKA CORPORATION (JP) 2004-09-01 EP disclosed
US-20040097678-A1 Process for producing vinyl polymer having alkenyl group at end vinyl polymer and curable composition KANEKA CORPORATION (JP) 2004-05-20 US disclosed
EP-1375531-A1 PROCESS FOR PRODUCING VINYL POLYMER HAVING ALKENYL GROUP AT END, VINYL POLYMER, AND CURABLE COMPOSITION KANEKA CORPORATION (JP) 2004-01-02 EP disclosed