SCHEMBL20535701

SCHEMBL20535701

CC(CCC(=O)O)c1c(F)cccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 0.39

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
SCHEMBL20534568 0.89 KDM4E (0.42) FFAR4SMN1; SMN2ALDH1A1PTGFR
SCHEMBL20534680 0.86 PTGFR (0.43) FFAR4SMN1; SMN2PTGFR
SCHEMBL20534638 0.84 KMT2A (0.41) FFAR4SMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL20534596 0.81 FFAR4 (0.41) FFAR4GABRPGABRDGABRA1GABRB1
SCHEMBL27728236 0.81 CPA3 (0.45) SMN1; SMN2CES2CES1CYP1A2ALDH1A1
SCHEMBL20535645 0.79 PTGFR (0.42) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL18884957 0.79 TAS1R3 (0.37) FFAR4SMN1; SMN2CES2CES1ALDH1A1
SCHEMBL21632380 0.76 GABBR2 (0.42) SMN1; SMN2CES2CES1CYP1A2ALDH1A1
SCHEMBL20534952 0.76 PTGFR (0.41) FFAR4GABRPGABRDGABRA1GABRB1
SCHEMBL21632375 0.75 CES2 (0.38) FFAR4SMN1; SMN2CES2CES1CYP1A2

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 4 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
EP-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-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
WO-2018189011-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2018-10-18 WO disclosed