SCHEMBL3433734

SCHEMBL3433734

CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CCOc1c2ccccc2c(OCC)c2cc(S(=O)(=O)[O-])ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
BCL2A1 Q16548 1/20 0.36
HSD11B1 P28845 4/20 0.35
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 2/20 0.35
ALDH1A1 P00352 6/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PPARG P37231 1/20 0.34
HSD17B3 P37058 1/20 0.34
PSD A5PKW4 1/20 0.34
HSD17B2 P37059 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC2A1 P11166 1/20 0.33
SQSTM1 Q13501 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
SCHEMBL1907427 0.89 SLC2A1 (0.39) LMNAKEAP1NFE2L2ALDH1A1RAB9A
SCHEMBL948099 0.88 BCL2A1 (0.41) HTTSMN1; SMN2LMNABCL2A1HSD11B1
SCHEMBL1159216 0.83 CA2 (0.39) SMN1; SMN2KEAP1NFE2L2ALDH1A1KDM4E
SCHEMBL8004296 0.76 BCL2A1 (0.38) BCL2A1HSD11B1KEAP1NFE2L2ALDH1A1
SCHEMBL452774 0.75 ALDH1A1 (0.46) HTTSMN1; SMN2LMNAHSD11B1KEAP1
SCHEMBL217706 0.75 ALDH1A1 (0.48) HTTSMN1; SMN2LMNAHSD11B1ALDH1A1
SCHEMBL755711 0.75 KIF11 (0.46) HTTSMN1; SMN2ALDH1A1HSD17B10NPC1
SCHEMBL29367478 0.75 KIF11 (0.46) HTTSMN1; SMN2ALDH1A1HSD17B10NPC1
SCHEMBL8131241 0.75 ALDH1A1 (0.52) HTTSMN1; SMN2LMNAHSD11B1ALDH1A1
SCHEMBL51756 0.75 KDM4E (0.43) SMN1; SMN2LMNABCL2A1KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3093502-B1 MICRO FLUID DEVICE SEKISUI CHEMICAL CO LTD (JP) 2018-07-04 EP disclosed
EP-2256349-B1 MICRO FLUID DEVICE SEKISUI CHEMICAL CO LTD (JP) 2017-04-26 EP disclosed
EP-3093502-A1 MICRO FLUID DEVICE SEKISUI CHEMICAL CO., LTD. (JP) 2016-11-16 EP disclosed
EP-2256349-A1 MICRO FLUID DEVICE Sekisui Chemical Co., Ltd. (JP) 2010-12-01 EP disclosed
US-6074800-A Photo acid generator compounds, photo resists, and method for improving bias INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2000-06-13 US disclosed