SCHEMBL9329294

SCHEMBL9329294

O=CCCCCOC(=O)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.79
LMNA P02545 1/20 0.58
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 2/20 0.50
HIF1A Q16665 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL6821599 0.98 TDP1 (0.76) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL1151086 0.98 TDP1 (0.76) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL7297778 0.95 TDP1 (0.75) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL25305081 0.94 TDP1 (0.69) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL2844201 0.89 TDP1 (0.66) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL223441 0.89 TDP1 (1.00) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL17466182 0.87 TDP1 (0.96) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL2069111 0.87 TDP1 (0.96) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL11896606 0.87 TDP1 (0.96) TDP1LMNAALDH1A1MAPK1HIF1A
SCHEMBL223238 0.87 TDP1 (0.96) TDP1LMNAALDH1A1MAPK1HIF1A

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-118995467-A Producing strain of 5-ketomilbemycins and application thereof 浙江海正药业股份有限公司 2024-11-22 CN disclosed
WO-2014126802-A1 ALKENE AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-08-21 WO disclosed
CN-1040434-C Heterobicyclic compounds RECORDATI CHEM PHARM (CH) 1998-10-28 CN disclosed
US-5304549-A Control or prevention of degenerative joint diseases HOFFMANN-LA ROCHE INC. (US) 1994-04-19 US disclosed
CN-1079738-A Heterobicyclic compounds RECORDATI CHEM PHARM (CH) 1993-12-22 CN disclosed
US-5248810-A Insecticides, acaricides SCHERING AKTIENGESELLSCHAFT (DE) 1993-09-28 US disclosed
EP-0497192-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-08-05 EP disclosed
CN-1053054-A The preparation method of halogenated olefine and as desinsection and acaricidal application SCHERING AG (DE) 1991-07-17 CN disclosed
EP-0432861-A1 Halogenated olefines, process for the preparation thereof and their use as pesticides SCHERING AKTIENGESELLSCHAFT (DE) 1991-06-19 EP disclosed