SCHEMBL7960414

SCHEMBL7960414

COC(=O)C1(NC(=O)Cc2c(C)cc(OC)cc2C)CCCCC1C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
EPHX2 P34913 1/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
POLB P06746 3/20 0.33
CTSD P07339 1/20 0.33
KLK7 P49862 1/20 0.32
MAPT P10636 1/20 0.32
CCR5 P51681 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
SCHEMBL7949988 0.91 ALDH1A1 (0.36) ALDH1A1HPGDAPOBEC3AAPOBEC3GEPHX2
SCHEMBL8906344 0.91 GAA (0.34) HPGDEPHX2KMT2APOLBMAPT
SCHEMBL7959997 0.86 ALDH1A1 (0.48) ALDH1A1HPGDAPOBEC3AAPOBEC3GEPHX2
SCHEMBL7964463 0.86 NPC1 (0.36) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL8796933 0.84 HPGD (0.38) ALDH1A1HPGDAPOBEC3AAPOBEC3GEPHX2
SCHEMBL7964591 0.80 MAPT (0.38) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL8905461 0.79 GAA (0.36) ALDH1A1HPGDEPHX2KMT2APOLB
SCHEMBL8906967 0.79 L3MBTL1 (0.40) ALDH1A1HPGDAPOBEC3AAPOBEC3GKMT2A
SCHEMBL6475250 0.79 MEN1 (0.45) ALDH1A1HPGDAPOBEC3AAPOBEC3GEPHX2
SCHEMBL7949759 0.79 MAPT (0.40) ALDH1A1HPGDKMT2AMEN1MAPT

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