SCHEMBL20534638

SCHEMBL20534638

CC(CCC(=O)O)c1c(F)cccc1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.39
FFAR4 Q5NUL3 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
CXCL8 P10145 1/20 0.35
HTT P42858 1/20 0.35
FFAR1 O14842 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL20535701 0.84 FFAR4 (0.43) KMT2APOLBFFAR4ALDH1A1SMN1; SMN2
SCHEMBL21631981 0.82 KMT2A (0.39) KMT2APOLBFFAR4PPARGPPARA
SCHEMBL21632010 0.81 KMT2A (0.39) KMT2APOLBFFAR4PPARGPPARA
SCHEMBL20534677 0.79 PTGFR (0.43) KMT2ASMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL20534568 0.77 KDM4E (0.42) FFAR4PPARGALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL20534680 0.75 PTGFR (0.43) FFAR4SMN1; SMN2FFAR1
SCHEMBL25762423 0.74 KMT2A (0.41) KMT2APOLBALDH1A1GAASMN1; SMN2
SCHEMBL20534678 0.71 KDM4E (0.43) KMT2APOLBSMN1; SMN2HTTL3MBTL1
SCHEMBL3374542 0.71 KMT2A (0.50) KMT2APOLBPPARGPPARAALDH1A1
SCHEMBL20534596 0.71 FFAR4 (0.41) FFAR4FFAR1

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
EP-3609870-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
WO-2018189012-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-10-18 WO disclosed