SCHEMBL7959997

SCHEMBL7959997

COC(=O)C1(NC(=O)Cc2ccc(OC)cc2C)CCCCC1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
HPGD P15428 2/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
EPHX2 P34913 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 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
SCHEMBL7960270 0.92 ALDH1A1 (0.48) ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1
SCHEMBL8906967 0.89 L3MBTL1 (0.40) ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1
SCHEMBL6475250 0.89 MEN1 (0.45) ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1
SCHEMBL8655033 0.88 SMN1; SMN2 (0.40) ALDH1A1HPGDKMT2ATSHRMAPK1
SCHEMBL7960414 0.86 ALDH1A1 (0.36) ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1
SCHEMBL8652620 0.81 NPC1 (0.37) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL7960737 0.81 KMT2A (0.44) ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1
SCHEMBL6475230 0.80 MEN1 (0.45) ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1
SCHEMBL6475785 0.80 MEN1 (0.45) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL7964438 0.80 MEN1 (0.46) ALDH1A1HPGDAPOBEC3AAPOBEC3GMEN1

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