SCHEMBL11219404

SCHEMBL11219404

O=C1CCC(=O)C1c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.47
HTR2B P41595 1/20 0.47
CUL4A Q13619 1/20 0.45
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
RBP4 P02753 2/20 0.43
PNMT P11086 1/20 0.41
TP53 P04637 2/20 0.41
TNF P01375 1/20 0.40
IL6 P05231 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL31227327 0.78 HTR2C (0.49) HTR2CHTR2BGAATDP1RBP4
SCHEMBL25378056 0.78 HTR2C (0.49) HTR2CHTR2BGAATDP1RBP4
SCHEMBL16212148 0.78 HTR2C (0.49) HTR2CHTR2BGAATDP1RBP4
SCHEMBL11810379 0.77 TP53 (0.45) HTR2CHTR2BCUL4AGAATDP1
SCHEMBL20010439 0.74 HTR2C (0.62) HTR2CGAATDP1RBP4
SCHEMBL21451909 0.74 GAA (0.49) HTR2CHTR2BGAATDP1RBP4
SCHEMBL16796841 0.74 HTR2C (0.49) HTR2CHTR2BGAATDP1RBP4
SCHEMBL23002099 0.73 HTR2C (0.47) HTR2CHTR2BGAATDP1RBP4
SCHEMBL29990985 0.72 HTR2C (0.55) HTR2CHTR2BCUL4AGAATDP1
SCHEMBL5007618 0.71 HTR2C (0.75) HTR2CHTR2BGAATDP1RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4338122-A MITICIDES, HERBICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed
US-4283348-A SODIUM ETHOXIDE PROMOTED CYCLIZATION OF LEVULINIC ACID ESTERS UNION CARBIDE CORPORATION (US) 1981-08-11 US disclosed