SCHEMBL3871386

SCHEMBL3871386

CCCCOc1c(C)cc(S2(OS(=O)(=O)c3ccccc3)CCCC2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ABCB1 P08183 3/20 0.36
WDR5 P61964 3/20 0.34
KAT6A Q92794 1/20 0.34
ABCC1 P33527 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
HTT P42858 2/20 0.32

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
SCHEMBL7158788 0.86 SCN8A (0.34) TSHRALDH1A1MAPK1RECQLL3MBTL1
SCHEMBL3876852 0.84 THRA (0.32)
SCHEMBL3876693 0.82 THRA (0.31)
SCHEMBL3878050 0.80 FAAH (0.32) ALDH1A1KAT6ATP53MAPT
SCHEMBL3871483 0.77
SCHEMBL3883695 0.74 SLC2A1 (0.42) TSHRALDH1A1ABCB1WDR5L3MBTL1
SCHEMBL5391329 0.74 GAA (0.43) TSHRALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL5383925 0.71 KMT2A (0.42) ALDH1A1MAPK1TDP1CA12CA1
SCHEMBL3871384 0.68 ALDH1A1 (0.40) CCNE2CCNE1CDK2TSHRALDH1A1
SCHEMBL346204 0.68 TSHR (0.53) TSHRALDH1A1ABCB1ABCC1L3MBTL1

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-7638261-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-12-29 US disclosed
US-20090148790-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2009-06-11 US disclosed
US-7521169-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-04-21 US disclosed
US-20060234153-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-10-19 US disclosed
EP-1557718-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2005-07-27 EP disclosed
US-20030219680-A1 Photoresists useful for microfabrication utilizing deep ultraviolet rays such as an excimer laser, x-rays such as synchrotron radiation, and electron beams JSR CORPORATION (JP) 2003-11-27 US disclosed