SCHEMBL30152011

SCHEMBL30152011

CC(=O)Oc1cc(C)cc(C)c1C(C)(C)CC(=O)Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
KDM4E B2RXH2 3/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
GFER P55789 1/20 0.35
ALDH1A1 P00352 3/20 0.34
ACHE P22303 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.33
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
ALPG P10696 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 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
SCHEMBL23832314 1.00 ELANE (0.36) ELANEKDM4EGLAGAAGFER
SCHEMBL21662664 0.88 ELANE (0.38) ELANEKDM4EGLAGAAGFER
SCHEMBL2515529 0.87 ELANE (0.37) ELANEKDM4EGLAGAAGFER
SCHEMBL29450106 0.87 ELANE (0.37) ELANEKDM4EGLAGAAGFER
SCHEMBL12673777 0.87 ELANE (0.38) ELANEKDM4EGLAGAAGFER
SCHEMBL25931690 0.86 NLRP3 (0.39) ELANEKDM4EALDH1A1ACHEL3MBTL1
SCHEMBL13245289 0.86 ALDH1A1 (0.38) ELANEKDM4EGLAGAAGFER
SCHEMBL21342598 0.86 ELANE (0.36) ELANEKDM4EGLAGAAGFER
SCHEMBL18121368 0.86 ELANE (0.36) ELANEKDM4EGLAGAAGFER
Hydrochloric Acid SCHEMBL29259039 0.86 ELANE (0.36) ELANEKDM4EGLAGAAGFER

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-4387608-A1 PRODRUGS AND DERIVATIVES OF PSILOCIN AND USES THEREOF Terran Biosciences, Inc. (US) 2024-06-26 EP disclosed
CN-118119389-A Prodrugs and derivatives of des-phosphate nupharicin and uses thereof 人类生物科学股份有限公司 2024-05-31 CN disclosed
WO-2023141636-A1 PRODRUGS OF 2-BROMO-LSD (2-BROMOLYSERGIC ACID DIETHYLAMIDE) TERRAN BIOSCIENCES INC. (US) 2023-07-27 WO disclosed
WO-2023023347-A1 PRODRUGS AND DERIVATIVES OF PSILOCIN AND USES THEREOF TERRAN BIOSCIENCES INC. (US) 2023-02-23 WO disclosed
EP-4121437-A1 PRODRUGS OF 4'-C-SUBSTITUTED-2-HALO-2'-DEOXYADENOSINE NUCLEOSIDES AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-01-25 EP disclosed