SCHEMBL4413822

SCHEMBL4413822

CC1(C)OCC(=O)OC1=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.32
CYP3A4 P08684 3/20 0.32
MAPK1 P28482 3/20 0.32
HIF1A Q16665 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
TFPI2 P48307 1/20 0.32
PPP5C P53041 1/20 0.32
PPP2CA P67775 1/20 0.32
PPP1CA P62136 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GMNN O75496 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
SCHEMBL9161453 0.63
SCHEMBL781958 0.63
SCHEMBL237697 0.63
SCHEMBL4163556 0.63 TP53 (0.34) TP53CYP3A4MAPK1HIF1ALMNA
SCHEMBL2297883 0.62
SCHEMBL7637933 0.61
SCHEMBL8310241 0.60 KDM4E (0.32) TP53CYP3A4MAPK1HIF1ALMNA
SCHEMBL6024806 0.60 KDM4E (0.30) KDM4E
SCHEMBL11584532 0.60
SCHEMBL134403 0.60 TSHR (0.41) TP53CYP3A4MAPK1HIF1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117715658-A Method for inhibiting RAS 锐新医药公司 2024-03-15 CN disclosed
CN-117683049-A Indole derivatives as RAS inhibitors for the treatment of cancer 锐新医药公司 2024-03-12 CN disclosed
CN-117616031-A RAS inhibitors for the treatment of cancer 锐新医药公司 2024-02-27 CN disclosed
CN-116457358-A Indole derivatives as RAS inhibitors for the treatment of cancer 锐新医药公司 2023-07-18 CN disclosed
CN-116209438-A Treatment of malignant diseases with SHP2 mutations using SOS1 inhibitors 锐新医药公司 2023-06-02 CN disclosed
WO-2020205537-A1 COVALENT MODIFICATION AND CONTROLLED DELIVERY OF MU OPIOID RECEPTOR ANTAGONISTS ALLEGHENY SINGER RESEARCH INSTITUTE (US) 2020-10-08 WO disclosed
WO-2016132247-A1 FLUORO-ALCOHOL ADDITIVES FOR ORIENTATION CONTROL OF BLOCK COPOLYMERS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-08-25 WO disclosed
EP-0955957-A4 IMPROVED POROUS BIOMATERIALS AND METHODS FOR THEIR MANUFACTURE INTERPORE INTERNAT (US) 2009-03-18 EP disclosed
EP-0955957-A1 IMPROVED POROUS BIOMATERIALS AND METHODS FOR THEIR MANUFACTURE INTERPORE INTERNATIONAL (US) 1999-11-17 EP disclosed
WO-1997046178-A1 IMPROVED POROUS BIOMATERIALS AND METHODS FOR THEIR MANUFACTURE INTERPORE INTERNATIONAL (US) 1997-12-11 WO disclosed
EP-0722445-A4 DEGRADABLE POLYDIOXANEONE-BASED MATERIALS BIOPAK TECHNOLOGY LTD (US) 1997-04-02 EP disclosed
EP-0722445-A1 DEGRADABLE POLYDIOXANEONE-BASED MATERIALS Biopak Technology, Ltd. (US) 1996-07-24 EP disclosed
WO-1995009164-A1 DEGRADABLE POLYDIOXANEONE-BASED MATERIALS BIOPAK TECHNOLOGY, LTD. (US) 1995-04-06 WO disclosed