SCHEMBL9855552

SCHEMBL9855552

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
EPHX2 P34913 2/20 0.41
PPARG P37231 2/20 0.41
LMNA P02545 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
KDM4E B2RXH2 5/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
SENP7 Q9BQF6 1/20 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 0.88 MAPT (0.41) MAPTEPHX2PPARGLMNAMEN1
SCHEMBL9855979 0.86 MAPT (0.39) MAPTEPHX2PPARGLMNAMEN1
SCHEMBL9855275 0.82 MAPT (0.43) MAPTEPHX2PPARGLMNAMEN1
SCHEMBL9855053 0.81 EPHX2 (0.43) MAPTEPHX2PPARGLMNAMEN1
SCHEMBL9855217 0.77 MAPT (0.41) MAPTEPHX2PPARGLMNAMEN1
SCHEMBL9855104 0.73 TSHR (0.43) MAPTEPHX2LMNAMEN1KMT2A
SCHEMBL10904084 0.72 POLB (0.43) MAPTLMNAMEN1KMT2ATDP1
SCHEMBL29571281 0.72 EPHX2 (0.43) MAPTEPHX2PPARGLMNAMEN1
SCHEMBL7430311 0.71 CYP3A4 (0.43) LMNAMEN1KMT2ANPSR1CYP2C9
SCHEMBL8253229 0.71 MAPT (0.44) MAPTEPHX2PPARGLMNAMEN1

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