SCHEMBL8645554

SCHEMBL8645554

Cc1cc(C)c(C2C(=O)NC3(CCCC3)C2=O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
PDE7A Q13946 3/20 0.38
RAB9A P51151 3/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CRBN Q96SW2 2/20 0.31
DDB1 Q16531 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL8652013 0.98 KMT2A (0.40) KMT2APDE7ARAB9ANPC1POLB
SCHEMBL3176738 0.88 PDE7A (0.35) KMT2APDE7ARAB9ANPC1POLB
SCHEMBL2889210 0.88 KMT2A (0.41) KMT2APDE7ARAB9ANPC1POLB
SCHEMBL6762179 0.87 HPGD (0.30)
SCHEMBL7619891 0.87 THRB (0.39) PDE7AMAPTSMN1; SMN2LMNACRBN
SCHEMBL12496896 0.87 PDE7A (0.40) KMT2APDE7ARAB9APOLBMAPT
SCHEMBL7647437 0.86 KMT2A (0.32) KMT2APDE7ARAB9ANPC1
SCHEMBL7612862 0.85 CA12 (0.34) KMT2APDE7A
SCHEMBL1475886 0.84 KMT2A (0.37) KMT2APDE7ARAB9ANPC1POLB
SCHEMBL2434247 0.84 PDE7A (0.33) KMT2APDE7ARAB9ANPC1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0521334-B1 Substituted 1-H-3-aryl-pyrrolidin-2,4-dione derivatives, their preparation and their use as insecticides, acaricides and herbicides BAYER AG (DE) 1998-09-09 EP disclosed
US-5616536-A INSECTICIDES, MITICIDES, HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-04-01 US disclosed
US-5589469-A INSECTICIDES, MITICIDES OR HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-31 US disclosed
EP-0521334-A1 Substituted 1-H-3-aryl-pyrrolidin-2,4-dione derivatives BAYER AG (DE) 1993-01-07 EP disclosed