SCHEMBL28826440

SCHEMBL28826440

CC(C)Oc1cccc(-c2ccccc2F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
CASR P41180 1/20 0.48
PTPN5 P54829 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
PTGS2 P35354 2/20 0.45
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
TRPV3 Q8NET8 1/20 0.44
PTPRC P08575 1/20 0.44
PTPN1 P18031 1/20 0.44
KAT6A Q92794 1/20 0.43
FAAH O00519 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL964683 0.81 RXRA (0.50) RXRARXRBCASRPTPN5GABRA1
SCHEMBL28036144 0.81 CASR (0.58) CASRAKR1C3AKR1C2CYP1A2CYP2C19
SCHEMBL30516664 0.81 CASR (0.58) CASRAKR1C3AKR1C2CYP1A2CYP2C19
SCHEMBL4053854 0.81 VSIR (0.55) L3MBTL1MAPT
SCHEMBL964681 0.80 RXRA (0.49) RXRARXRBPTPN5GABRA1GABRG2
SCHEMBL8469211 0.78 RXRA (0.72) RXRARXRBPTPN5GABRA1GABRG2
SCHEMBL16334238 0.78 RXRA (0.54) RXRARXRBPTPN5GABRA1GABRG2
SCHEMBL13608268 0.76 MEN1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1336946 0.75 RXRA (0.51) RXRARXRBPTPN5GABRA1GABRG2
SCHEMBL12856837 0.75 PTPRC (0.55) PTPRCPTPN1KAT6AL3MBTL1MAPT

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
CN-105392777-A Biaryl derivatives as GRP120 agonists LG LIFE SCIENCES LTD 2016-03-09 CN disclosed