SCHEMBL8901745

SCHEMBL8901745

CSc1ccc(C(=O)CC(=O)C2CC2)c(Cc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
TBXA2R P21731 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
PTGDR Q13258 1/20 0.39
GAA P10253 2/20 0.39
SIGMAR1 Q99720 2/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NLRP3 Q96P20 1/20 0.37
MBTD1 Q05BQ5 1/20 0.36

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 0.88 MBTD1 (0.35) HPGDL3MBTL1ALDH1A1MBTD1L3MBTL3
SCHEMBL8891490 0.83 HPGD (0.40) KMT2AHPGDMEN1L3MBTL1ALDH1A1
SCHEMBL8815619 0.79 PKM (0.36) KMT2AHPGDMEN1L3MBTL1ALDH1A1
SCHEMBL8815609 0.76 KMT2A (0.44) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL8891129 0.76 HPGD (0.36) KMT2AHPGDMEN1L3MBTL1ALDH1A1
SCHEMBL8491020 0.75 HPGD (0.57) KMT2AHPGDMEN1L3MBTL1ALDH1A1
SCHEMBL8815598 0.74 MAPK1 (0.34) HPGDALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL8817756 0.73 AKR1C3 (0.35) KMT2AHPGDMEN1ALDH1A1SMN1; SMN2
SCHEMBL8891282 0.72 HPGD (0.36) KMT2AHPGDMEN1L3MBTL1ALDH1A1
SCHEMBL8726663 0.71 HPGD (0.38) KMT2AHPGDALDH1A1SMN1; SMN2MAPT

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