SCHEMBL8901043

SCHEMBL8901043

CCSc1ccc(C(=O)CC(=O)C2CC2)c(Cc2ccccc2)c1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 5/20 0.36
MAP2K1 Q02750 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
HPGD P15428 3/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CTDSP1 Q9GZU7 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
SCHEMBL8899593 0.76 MBTD1 (0.35) ALDH1A1LMNAABL1RIN1HPGD
SCHEMBL8892286 0.76 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1MAP2K1KMT2AMEN1
SCHEMBL8891638 0.73 ALOX15 (0.36) SMN1; SMN2ALDH1A1MAP2K1KDM4EHSD17B10
SCHEMBL8901745 0.69 KMT2A (0.42) SMN1; SMN2ALDH1A1KMT2AMEN1HPGD
SCHEMBL8754605 0.66 ERCC5 (0.57) SMN1; SMN2ALDH1A1KMT2AMEN1HPGD
SCHEMBL9073271 0.66 MAPT (0.35) SMN1; SMN2ALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL8892357 0.66 MAP2K1 (0.33) SMN1; SMN2ALDH1A1MAP2K1KMT2AMEN1
SCHEMBL8892368 0.66 MAP2K1 (0.33) SMN1; SMN2ALDH1A1MAP2K1KMT2AMEN1
SCHEMBL9069942 0.65 DRD2 (0.39) SMN1; SMN2ALDH1A1HSD17B10KMT2ALMNA
SCHEMBL8724619 0.64 KMT2A (0.35) ALDH1A1KMT2AMEN1HPGDMAPT

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
WO-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed