SCHEMBL7960229

SCHEMBL7960229

CCOC(=O)C1(NC(=O)Cc2ccc(OC)cc2C)CCC(CC)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.43
KMT2A Q03164 8/20 0.43
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MAPK1 P28482 2/20 0.35
TSHR P16473 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
SCHEMBL7958037 0.94 MEN1 (0.42) MEN1KMT2APOLBHTTL3MBTL1
SCHEMBL6474811 0.91 MEN1 (0.42) MEN1KMT2APOLBHTTL3MBTL1
SCHEMBL7960893 0.90 MEN1 (0.42) MEN1KMT2APOLBHTTL3MBTL1
SCHEMBL6833035 0.88 MEN1 (0.41) MEN1KMT2APOLBHTTL3MBTL1
SCHEMBL6475206 0.83 MEN1 (0.42) MEN1KMT2APOLBHTTL3MBTL1
SCHEMBL7950115 0.83 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HPGDAPOBEC3A
SCHEMBL7960078 0.82 MEN1 (0.42) MEN1KMT2APOLBHTTL3MBTL1
SCHEMBL5492364 0.82 OPRM1 (0.34) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL8657268 0.81 P2RX7 (0.41) ALDH1A1HPGDMAPK1SMN1; SMN2P2RX7
SCHEMBL7960982 0.81 MEN1 (0.42) MEN1KMT2AALDH1A1HPGDAPOBEC3A

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
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