SCHEMBL8328164

SCHEMBL8328164

O=C(O)C(C(=O)O)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
EPHX1 P07099 7/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
EPHX2 P34913 1/20 0.35
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SSTR4 P31391 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
HTT P42858 2/20 0.32
TSHR P16473 1/20 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
SCHEMBL21269582 0.97 KEAP1 (0.41) KEAP1NFE2L2CES2CES1EPHX1
SCHEMBL28315810 0.97 KEAP1 (0.41) KEAP1NFE2L2CES2CES1EPHX1
SCHEMBL28315614 0.97 KEAP1 (0.41) KEAP1NFE2L2CES2CES1EPHX1
SCHEMBL28315803 0.97 KEAP1 (0.41) KEAP1NFE2L2CES2CES1EPHX1
SCHEMBL21269265 0.97 KEAP1 (0.41) KEAP1NFE2L2CES2CES1EPHX1
SCHEMBL21269428 0.97 KEAP1 (0.41) KEAP1NFE2L2CES2CES1EPHX1
SCHEMBL28314417 0.95 KEAP1 (0.39) KEAP1NFE2L2CES2CES1EPHX1
SCHEMBL20530251 0.82 KEAP1 (0.35) KEAP1NFE2L2CES2CES1
SCHEMBL20530260 0.82 KEAP1 (0.35) KEAP1NFE2L2CES2CES1
SCHEMBL20530249 0.79 KEAP1 (0.36) KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117120549-B Polyamide resin composition 尤尼吉可株式会社 2025-02-18 CN disclosed
CN-110402511-B Binder composition for secondary battery 日本电气株式会社 2024-06-18 CN disclosed
CN-117120549-A Polyamide resin composition 尤尼吉可株式会社 2023-11-24 CN disclosed
CN-113966273-A Molding sheet and molded article 东洋纺株式会社 2022-01-21 CN disclosed
CN-110209029-B Intermediate transfer belt and image forming apparatus 柯尼卡美能达株式会社 2021-11-30 CN disclosed
US-11018342-B2 Binder composition for secondary battery NEC CORPORATION (JP) 2021-05-25 US disclosed
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed