SCHEMBL21708644

SCHEMBL21708644

CCCC(F)OC(=O)CCCC(C)(CN)c1ccccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
PTGFR P43088 3/20 0.32
KIF11 P52732 1/20 0.32
GAA P10253 1/20 0.31
CTSK P43235 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.30
LMNA P02545 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21708642 0.94 TAS1R3 (0.34) TAS1R3TAS1R1L3MBTL1PTGFRKIF11
SCHEMBL21708704 0.87 TAS1R3 (0.33) TAS1R3TAS1R1L3MBTL1KIF11CTSK
SCHEMBL21708706 0.82 L3MBTL1 (0.32) TAS1R3TAS1R1L3MBTL1CTSKALDH1A1
SCHEMBL21708756 0.80 PTGFR (0.33) L3MBTL1PTGFR
SCHEMBL21656375 0.79 PTGFR (0.36) L3MBTL1PTGFRKIF11LMNAMEN1
SCHEMBL21708740 0.77 L3MBTL1 (0.32) TAS1R3TAS1R1L3MBTL1ALDH1A1
SCHEMBL21632132 0.76 PTGFR (0.46) L3MBTL1PTGFRKIF11MEN1KMT2A
SCHEMBL21708652 0.75 TAS1R3 (0.34) TAS1R3TAS1R1KIF11
SCHEMBL21708716 0.75 L3MBTL1 (0.36) TAS1R3TAS1R1L3MBTL1PTGFRGAA
SCHEMBL21632147 0.71 PTGFR (0.44) L3MBTL1PTGFRKIF11ALDH1A1LMNA

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
EP-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed