SCHEMBL2304559

SCHEMBL2304559

CC(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1)OC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.48
RXRA P19793 3/20 0.40
RXRB P28702 3/20 0.40
RXRG P48443 3/20 0.40
LMNA P02545 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.39
EPHX1 P07099 6/20 0.36
ELANE P08246 1/20 0.36
CD69 Q07108 1/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL1225023 0.82 HMGCR (0.45) HMGCRRXRARXRBRXRGCHRM2
SCHEMBL14672762 0.78 HMGCR (0.47) HMGCRRXRARXRBRXRGTSHR
SCHEMBL11137957 0.77 LMNA (0.42) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL28212340 0.75 LDHA (0.41) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL113064 0.75 LDHA (0.41) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL29021068 0.75 GABRA1 (0.38) HMGCRRXRARXRBRXRGLMNA
SCHEMBL1811694 0.74 SLC6A2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28914994 0.74 SLC6A2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28237997 0.74 SLC6A2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL22129162 0.73 HMGCR (0.50) HMGCRRXRARXRBRXRGTSHR

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4404942-A2 COMPOSITIONS FOR EDITING MECP2 TRANSCRIPTS AND METHODS THEREOF Wave Life Sciences Ltd. (SG) 2024-07-31 EP disclosed
WO-2024015560-A1 COMBINATION OF MACROPHAGE-DIRECTED IMMUNOTHERAPY AND CYTOKINES FOR TREATMENT OF CANCER WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2024-01-18 WO disclosed
WO-2023049477-A2 COMPOSITIONS FOR EDITING MECP2 TRANSCRIPTS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-03-30 WO disclosed
EP-4153747-A2 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO Wave Life Sciences Ltd. (SG) 2023-03-29 EP disclosed
WO-2021234459-A2 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2021-11-25 WO disclosed
WO-2021222542-A1 5-AMINO-2-PIPERIDINON-3-YL-1-OXOISOINDOLINE DERIVATIVES FOR DEGRADATION OF IKZF2 DEGRADERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-04 WO disclosed
WO-2021146553-A1 MACROMOLECULAR PRODRUGS FOR LIGHT-EMITTING DIODES AND USES THEREOF CHILDREN'S MEDICAL CENTER CORPORATION (US) 2021-07-22 WO disclosed
EP-3505521-A1 CORTISTATIN ANALOGUES AND SYNTHESES AND USES THEREOF President and Fellows of Harvard College (US) 2019-07-03 EP disclosed
EP-3143013-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME Memorial Sloan Kettering Cancer Center (US) 2017-03-22 EP disclosed
EP-2972394-A1 HSP90-TARGETED CARDIAC IMAGING AND THERAPY Memorial Sloan Kettering Cancer Center (US) 2016-01-20 EP disclosed
WO-2008144514-A2 POLYOL-BASED POLYMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-11-27 WO disclosed
WO-2008122038-A1 REGULATING AUTOPHAGY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-10-09 WO disclosed
EP-1863800-A2 SYNTHESIS OF AVRAINVILLAMIDE, STEPHACIDIN B, AND ANALOGUES THEREOF The President and Fellows of Harvard College (US) 2007-12-12 EP disclosed
WO-2007008226-A9 PALLADIUM-CATALYZED CARBON-CARBON BOND FORMING REACTIONS HARVARD COLLEGE (US) 2007-05-24 WO disclosed
EP-1753713-A2 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF The President and Fellows of Harvard College (US) 2007-02-21 EP disclosed
WO-2006102097-A2 SYNTHESIS OF AVRAINVILLAMIDE, STEPHACIDIN B, AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-09-28 WO disclosed
WO-2005112945-A2 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-12-01 WO disclosed
EP-0804410-A1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
EP-0730570-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-11 EP disclosed
WO-1996022275-A1 METHOD OF PREPARING RETROVIRAL PROTEASE INHIBITOR INTERMEDIATES G.D. SEARLE & CO. (US) 1996-07-25 WO disclosed