SCHEMBL11657397

SCHEMBL11657397

CCOC(=O)C(C)=C=CC(C)(C)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
CYP1A2 P05177 2/20 0.47
LMNA P02545 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 6/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CES2 O00748 1/20 0.41
ACHE P22303 1/20 0.41
CES1 P23141 1/20 0.41
CASP3 P42574 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL11659055 0.86 ABCB11 (0.43) MAPTKMT2AMEN1NPSR1CYP1A2
SCHEMBL11661721 0.80 SMN1; SMN2 (0.38) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL708213 0.77 MAPT (0.59) MAPTKMT2AMEN1NPSR1CYP1A2
SCHEMBL1832142 0.71 MAPT (0.44) MAPTKMT2AMEN1NPSR1CYP1A2
SCHEMBL1832145 0.71 MAPT (0.44) MAPTKMT2AMEN1NPSR1CYP1A2
SCHEMBL6977075 0.68 CHRM2 (0.48) MAPTKMT2AMEN1NPSR1CYP1A2
SCHEMBL1626657 0.68 CNR2 (0.48) MAPTKMT2AMEN1NPSR1CYP1A2
SCHEMBL22164189 0.68 MAPT (0.46) MAPTKMT2AMEN1NPSR1CYP1A2
SCHEMBL31294663 0.68 KMT2A (0.46) MAPTKMT2AMEN1NPSR1CYP1A2
SCHEMBL19183403 0.67 MAPT (0.49) MAPTKMT2AMEN1NPSR1CYP1A2

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-4073936-A Hypolipidemic allene carboxylic esters SANDOZ, INC. (US) 1978-02-14 US claimed
US-4073936-A Hypolipidemic allene carboxylic esters SANDOZ, INC. (US) 1978-02-14 US disclosed
US-4011339-A ANTIINFLAMMATORY AGENTS SANDOZ, INC. (US) 1977-03-08 US disclosed