SCHEMBL21708643

SCHEMBL21708643

CCCC(F)OC(=O)CC(CN)c1ccccc1OC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
DHFR P00374 1/20 0.35
EGFR P00533 1/20 0.35
GAA P10253 1/20 0.35
PPARG P37231 1/20 0.34
CTSD P07339 1/20 0.34

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
Hydrochloric Acid SCHEMBL21708730 0.91 CTDSP1 (0.36) POLBHTTNPSR1L3MBTL1TSHR
SCHEMBL21708590 0.89 L3MBTL1 (0.41) POLBHTTNPSR1L3MBTL1TSHR
SCHEMBL21708713 0.89 KCNK3 (0.37) POLBHTTNPSR1L3MBTL1
Hydrochloric Acid SCHEMBL21708784 0.88 GAA (0.37) TAS1R3TAS1R1GAA
SCHEMBL21708766 0.86 GABBR2 (0.33) POLBL3MBTL1
SCHEMBL21708646 0.85 NISCH (0.37) HTTNPSR1L3MBTL1TSHRKMT2A
SCHEMBL21708747 0.84 TAS1R3 (0.36) POLBHTTNPSR1L3MBTL1TSHR
SCHEMBL21708697 0.83 CNR2 (0.35) POLBTSHRKMT2AHPGDPPARG
SCHEMBL21708709 0.83 PTGFR (0.35) HTTL3MBTL1TSHRKMT2AMEN1
SCHEMBL21708695 0.80 MEN1 (0.38) POLBHTTNPSR1L3MBTL1TSHR

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