SCHEMBL7925280

SCHEMBL7925280

C=Cc1cccc(COCC2CCCO2)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL242446 0.85 ALDH1A1 (0.41) LMNAALDH1A1
SCHEMBL31290756 0.85 ALDH1A1 (0.41) LMNAALDH1A1
SCHEMBL6026327 0.84 HPGD (0.38) DRD2HTR2AHRH1PRMT5WDR77
SCHEMBL21283683 0.79 LMNA (0.50) LMNA
SCHEMBL5660476 0.79 LMNA (0.50) LMNA
SCHEMBL6574231 0.75 TP53 (0.47) ALDH1A1
SCHEMBL16138311 0.75 MGLL (0.49) LMNA
SCHEMBL16138331 0.75 MGLL (0.49) LMNA
SCHEMBL16138316 0.75 MGLL (0.49) LMNA
SCHEMBL1357316 0.72 ALDH1A1 (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6231783-B1 SOLVENT SYSTEMS HAVING IMPROVED PHYSICAL PROPERTIES TO MINIMIZE ENTRY INTO THE ENVIRONMENT AND TO FACILITATE SEPARATIONS AND CLEANING OPERATIONS TO MINIMIZE POLLUTION MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-05-15 US disclosed
WO-1997018179-A1 REPLACEMENT SOLVENTS FOR USE IN CHEMICAL SYNTHESIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1997-05-22 WO disclosed