SCHEMBL21708772

SCHEMBL21708772

CCCC(F)OC(=O)CC(C)(CN)c1ccc(F)cc1OC

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 2/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
NR3C2 P08235 3/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NR3C1 P04150 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PGR P06401 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
USP2 O75604 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
Hydrochloric Acid SCHEMBL21708632 0.99 PTGFR (0.33) PTGFRTAS1R3TAS1R1NR3C2KDM4E
Hydrochloric Acid SCHEMBL21708672 0.91 NR3C1 (0.36) TAS1R3TAS1R1NR3C2NR3C1
SCHEMBL21708743 0.88 MEN1 (0.41) TAS1R3TAS1R1KDM4ECYP3A4CYP2C19
SCHEMBL21708724 0.82 NR3C2 (0.35) TAS1R3TAS1R1NR3C2NR3C1PGR
SCHEMBL21708656 0.82 TAS1R3 (0.35) PTGFRTAS1R3TAS1R1KMT2ASMN1; SMN2
SCHEMBL21656602 0.81 MTNR1A (0.41) PTGFRNR3C2KDM4ENR3C1FFAR1
Hydrochloric Acid SCHEMBL21708639 0.80 PTGFR (0.33) PTGFR
SCHEMBL21708652 0.80 TAS1R3 (0.34) TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL21632334 0.78 PTGFR (0.46) PTGFRNR3C2KDM4ECYP3A4CYP2C19
SCHEMBL21708704 0.76 TAS1R3 (0.33) TAS1R3TAS1R1

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