SCHEMBL8816612

SCHEMBL8816612

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(Br)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
TARBP2 Q15633 1/20 0.38
GABRG2 P18507 5/20 0.38
GABRB3 P28472 5/20 0.38
GABRA5 P31644 5/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
GABRA1 P14867 3/20 0.37
GABRA3 P34903 3/20 0.37
GABRA2 P47869 3/20 0.37
GABRA6 Q16445 3/20 0.37
MAPT P10636 4/20 0.36
ELANE P08246 1/20 0.36
HSP90AA1 P07900 1/20 0.36
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8488004 0.88 HTT (0.45) GABRG2GABRB3GABRA5ALDH1A1HTT
SCHEMBL8490660 0.87 TP53 (0.36) TP53TARBP2GABRG2GABRB3GABRA5
SCHEMBL7581819 0.86 MAPT (0.36) TP53TARBP2GABRG2GABRB3GABRA5
SCHEMBL8492575 0.86 ALDH1A1 (0.39) TP53GABRG2GABRB3GABRA5ALDH1A1
SCHEMBL8817056 0.86 MLYCD (0.41) TP53ALDH1A1HTTMAPTLMNA
SCHEMBL7573179 0.86 HSP90AA1 (0.34) TP53TARBP2GABRG2GABRB3GABRA5
SCHEMBL7572967 0.86 ALDH1A1 (0.34) TP53TARBP2GABRG2GABRB3GABRA5
SCHEMBL8490493 0.85 ALDH1A1 (0.36) TP53ALDH1A1HTTMAPTHSP90AA1
SCHEMBL8747816 0.85 ELANE (0.42) TP53ALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL8816925 0.84 ALDH1A1 (0.35) TP53TARBP2GABRG2GABRB3GABRA5

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
WO-1997027187-A1 ISOXAZOLE AND 2-CYANO-1,3-DIONES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-31 WO disclosed
WO-1997023491-A1 NEW HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-03 WO disclosed