SCHEMBL8796388

SCHEMBL8796388

COc1cc(C)c(CC(=O)NC2(C)CCC(C)C(C)C2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.35
ALDH1A1 P00352 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
P2RX7 Q99572 2/20 0.33
KMT2A Q03164 5/20 0.33
POLB P06746 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
CYP3A4 P08684 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CACNA1H O95180 1/20 0.32
TSHR P16473 1/20 0.31
EPHX2 P34913 1/20 0.31
MEN1 O00255 3/20 0.31
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
GSK3B P49841 1/20 0.30
LMNA P02545 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
SCHEMBL8796921 0.87 SMN1; SMN2 (0.36) HPGDALDH1A1APOBEC3AAPOBEC3GP2RX7
SCHEMBL8797004 0.86 ALDH1A1 (0.47) HPGDALDH1A1APOBEC3AAPOBEC3GP2RX7
SCHEMBL8795394 0.85 SMN1; SMN2 (0.34) HPGDALDH1A1KMT2AMEN1LMNA
SCHEMBL8796950 0.85 HPGD (0.37) HPGDALDH1A1APOBEC3AAPOBEC3GP2RX7
SCHEMBL7960343 0.84 HPGD (0.34) HPGDALDH1A1APOBEC3AAPOBEC3GP2RX7
SCHEMBL7964477 0.84 LPAR1 (0.37) HPGDALDH1A1APOBEC3AAPOBEC3GP2RX7
SCHEMBL8796230 0.83 KMT2A (0.34) HPGDALDH1A1APOBEC3AAPOBEC3GP2RX7
SCHEMBL8796255 0.81 LMNA (0.34) HPGDALDH1A1APOBEC3AAPOBEC3GP2RX7
SCHEMBL8796407 0.81 ALDH1A1 (0.36) HPGDALDH1A1KMT2APOLBSIGMAR1
SCHEMBL8796933 0.77 HPGD (0.38) HPGDALDH1A1APOBEC3AAPOBEC3GKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754175-A1 ALKOXY-ALKYL-SUBSTITUTED 1-H-3-ARYL-PYRROLIDINE-2,4-DIONES USED AS HERBICIDES AND PESTICIDES BAYER AG (DE) 1997-01-22 EP disclosed