SCHEMBL4410947

SCHEMBL4410947

CCCCC/C=C\CC/C=C/C(=O)OCC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
ALDH1A1 P00352 1/20 0.58
FAAH O00519 2/20 0.56
TOP1 P11387 2/20 0.50
LPAR3 Q9UBY5 1/20 0.47
TERT O14746 2/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
APEX1 P27695 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DUSP3 P51452 1/20 0.47

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
SCHEMBL4410945 1.00 MAPT (0.66) MAPTALDH1A1FAAHTOP1LPAR3
SCHEMBL4410949 1.00 MAPT (0.66) MAPTALDH1A1FAAHTOP1LPAR3
SCHEMBL7795906 0.98 MAPT (0.64) MAPTALDH1A1FAAHTOP1TERT
SCHEMBL489595 0.96 MAPT (0.66) MAPTALDH1A1FAAHTOP1TERT
SCHEMBL489596 0.96 MAPT (0.66) MAPTALDH1A1FAAHTOP1TERT
SCHEMBL872985 0.96 MAPT (0.70) MAPTALDH1A1FAAHLPAR3GMNN
SCHEMBL872986 0.96 MAPT (0.70) MAPTALDH1A1FAAHLPAR3GMNN
SCHEMBL27487508 0.96 MAPT (0.70) MAPTALDH1A1FAAHLPAR3GMNN
SCHEMBL25404144 0.94 MAPT (0.68) MAPTALDH1A1FAAHTERTGMNN
SCHEMBL1468542 0.94 MAPT (0.68) MAPTALDH1A1FAAHTERTGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090321646-A1 NON-DESTRUCTIVE ANALYSIS BY VIS-NIR SPECTROSCOPY OF FLUID(S) IN ITS ORIGINAL CONTAINER THE AUSTRALIAN WINE RESEARCH INSTITUTE (AU) 2009-12-31 US claimed
EP-3335140-B1 SYSTEMS, APPARATUS, AND METHODS FOR ANALYZING AND PREDICTING CELLULAR PATHWAYS MASSACHUSETTS INST TECHNOLOGY (US) 2025-02-19 EP disclosed
US-20090321646-A1 NON-DESTRUCTIVE ANALYSIS BY VIS-NIR SPECTROSCOPY OF FLUID(S) IN ITS ORIGINAL CONTAINER THE AUSTRALIAN WINE RESEARCH INSTITUTE (AU) 2009-12-31 US disclosed