SCHEMBL9842861

SCHEMBL9842861

CCOC(=O)C(C(=O)c1cc(F)c(F)c(OC)c1F)=C(CC)NC1CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.36
GAA P10253 2/20 0.35
CNR1 P21554 6/20 0.35
CNR2 P34972 6/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL28931374 0.80 MAPT (0.33) POLBSMN1; SMN2HPGDPKMALDH1A1
SCHEMBL6481381 0.79 MAPT (0.35) CRBNGAACNR1CNR2POLB
SCHEMBL6221696 0.79 MAPT (0.35) CRBNGAACNR1CNR2POLB
SCHEMBL9149987 0.79 MAPT (0.35) CRBNGAACNR1CNR2POLB
SCHEMBL141512 0.75 CNR1 (0.35) CRBNCNR1CNR2PKMKDM4E
SCHEMBL1344189 0.75 MAPK1 (0.36) CRBNGAACNR1CNR2MAPK1
SCHEMBL12427257 0.75 MAPK1 (0.34) CRBNCNR1CNR2MAPK1SMN1; SMN2
SCHEMBL1344190 0.75 MAPK1 (0.36) CRBNGAACNR1CNR2MAPK1
SCHEMBL28540862 0.74 MAPT (0.44) CRBNPOLBSMN1; SMN2HPGDPKM
SCHEMBL15241560 0.72 MEN1 (0.39) GAAPOLBMAPK1SMN1; SMN2HPGD

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-0421668-A2 1,4-Dihydro-4-oxo-3-quinolone derivatives as selectively toxic mammalian antibacterial agents PFIZER INC. (US) 1991-04-10 EP disclosed