SCHEMBL9855217

SCHEMBL9855217

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
LMNA P02545 4/20 0.41
CYP1A2 P05177 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX2 P34913 1/20 0.40
PPARG P37231 1/20 0.40
KDM4E B2RXH2 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
GAA P10253 1/20 0.39
CASP3 P42574 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37

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
SCHEMBL9622043 0.82 MAPT (0.41) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL9855275 0.81 MAPT (0.43) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL9855053 0.80 EPHX2 (0.43) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL8253229 0.80 MAPT (0.44) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL9855979 0.79 MAPT (0.39) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL29571281 0.77 EPHX2 (0.43) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL9855552 0.77 MAPT (0.42) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL1626934 0.74 MAPT (0.42) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL14155056 0.74 MAPT (0.39) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL9855104 0.72 TSHR (0.43) MAPTMEN1KMT2ALMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011947-A Enzyme inhibitors for cholesterol biosythesis BRISTOL-MYERS (US) 1991-04-30 US disclosed