SCHEMBL17008259

SCHEMBL17008259

CCOC(=O)C1CCC(F)(F)CC1COCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.41
MAPT P10636 2/20 0.41
EGFR P00533 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR4 Q5NUL3 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
SCHEMBL18279737 0.89 CPB1 (0.42) TSHRFFAR4
SCHEMBL17008624 0.86 FFAR4 (0.43) FFAR4
SCHEMBL18279743 0.86 FFAR4 (0.43) FFAR4
SCHEMBL5925105 0.81 CA1 (0.49) PKMMAPTNPSR1TSHRFFAR4
SCHEMBL18630954 0.81 CA1 (0.49) PKMMAPTNPSR1TSHRFFAR4
SCHEMBL23970385 0.81 CA1 (0.49) PKMMAPTNPSR1TSHRFFAR4
SCHEMBL15927893 0.81 CA1 (0.49) PKMMAPTNPSR1TSHRFFAR4
SCHEMBL5453543 0.81 CA1 (0.49) PKMMAPTNPSR1TSHRFFAR4
SCHEMBL23970542 0.81 CA1 (0.49) PKMMAPTNPSR1TSHRFFAR4
SCHEMBL15927903 0.81 CA1 (0.49) PKMMAPTNPSR1TSHRFFAR4

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
WO-2015120580-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-08-20 WO disclosed