SCHEMBL8309049

SCHEMBL8309049

Cc1cc(C)c(C2=CCCCC2=O)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.37
GSTP1 P09211 1/20 0.36
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 1/20 0.33
PSMB5 P28074 2/20 0.32
TSHR P16473 1/20 0.32
PSMB1 P20618 1/20 0.32
KDM4E B2RXH2 3/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
HIF1A Q16665 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
SCHEMBL11502520 0.75 MAPT (0.41) GSTP1ALDH1A1MAPTHIF1A
SCHEMBL5791186 0.72 BRD4 (0.41) BRD4ALDH1A1MAPTGAATSHR
SCHEMBL9863913 0.70 CHRNB4 (0.41) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL11466992 0.69 BRD4 (0.46) BRD4ALDH1A1MAPTTSHRKDM4E
SCHEMBL277115 0.68 GSTP1 (0.37) GSTP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL22780738 0.67 ALDH1A1 (0.34) ALDH1A1MAPTGAATSHRKDM4E
SCHEMBL28272733 0.67 PSMB5 (0.51) PSMB5PSMB1
SCHEMBL745837 0.66
SCHEMBL1274254 0.64 BRD4 (0.38) BRD4ALDH1A1MAPTGAATSHR
SCHEMBL8027778 0.63 GSTP1 (0.46) GSTP1

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-0900216-A1 1,3-OXAZIN-4-ONE DERIVATES AS HERBICIDES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION RHONE-POULENC AGRICULTURE LTD. (GB) 1999-03-10 EP disclosed
WO-1997040041-A1 1,3-OXAZIN-4-ONE DERIVATES AS HERBICIDES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION RHONE-POULENC AGRICULTURE LTD. (GB) 1997-10-30 WO disclosed