SCHEMBL6992901

SCHEMBL6992901

CCOc1ccc(C2C(=O)NC3(CCCCCC3)C2=O)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
TP53 P04637 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
HPGD P15428 3/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PLA2G7 Q13093 1/20 0.35
MAPT P10636 1/20 0.35
ESR2 Q92731 1/20 0.35
PDE7A Q13946 3/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL4434523 0.87 PDE7A (0.39) ALDH1A1TP53TSHRDDB1CRBN
SCHEMBL7769002 0.82 KMT2A (0.42) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL8863053 0.82 KMT2A (0.42) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL4428399 0.74 PDE7A (0.47) MEN1KMT2APDE7ACA2
SCHEMBL6994973 0.73 PDE7A (0.42) ALDH1A1MEN1KMT2APDE7A
SCHEMBL8559348 0.73 PDE7A (0.45) KMT2ARAB9APDE7A
SCHEMBL6994685 0.72 TDP1 (0.38) ALDH1A1TP53KDM4EHSD17B10TSHR
SCHEMBL8559775 0.71 TSHR (0.38) ALDH1A1TSHRRAB9ASMN1; SMN2PDE7A
SCHEMBL1721097 0.71 MAPT (0.35) ALDH1A1KMT2ARAB9ASMN1; SMN2PLA2G7
SCHEMBL6767166 0.70 ALDH1A1 (0.36) ALDH1A1HSD17B10MEN1KMT2ADDB1

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-0754175-B1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-01-29 EP disclosed
US-6172255-B1 INSECTICIDES; MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
US-5830826-A Alkoxy-alkyl-substituted 1H-3-aryl-pyrrolidine-2, 4-diones used as herbicicides and pesticides BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed
WO-1995026954-A1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-10-12 WO disclosed