SCHEMBL28811793

SCHEMBL28811793

O=CC(=O)c1occ2ccc(O)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.37
NPC1 O15118 4/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
CASP3 P42574 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
SENP8 Q96LD8 1/20 0.36
LMNA P02545 1/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FLT3 P36888 1/20 0.34
KDM4E B2RXH2 2/20 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
SCHEMBL28000497 0.82 PTPN1 (0.39) NPC1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL27739436 0.82 PTPN1 (0.39) NPC1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL27804779 0.80 TBK1 (0.33) MAOBESR1ESR2
SCHEMBL28807652 0.78 TYMS (0.32)
SCHEMBL29033126 0.78 PIM1 (0.36) SMN1; SMN2RAB9AKMT2AALDH1A1KDM4E
SCHEMBL8620985 0.77 ALDH1A1 (0.41) MAPTKMT2ALMNAALDH1A1KDM4E
SCHEMBL27501639 0.77 PTPN1 (0.44) NPC1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL28405095 0.75 HNF4A (0.39) NPC1SMN1; SMN2RAB9AHTTALDH1A1
SCHEMBL27903016 0.75
SCHEMBL28064796 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106257977-B Composite polyamide membrane post-treated with nitrous acid DOW GLOBAL TECHNOLOGIES LLC (US) 2019-10-29 CN claimed
CN-106257977-A Composite polyamide membrane post-treated with nitrous acid 陶氏环球技术有限责任公司 2016-12-28 CN claimed
CN-103889972-A DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMA SPA 2014-06-25 CN disclosed