SCHEMBL8796933

SCHEMBL8796933

COc1cc(C)c(CC(=O)NC2(C)CCCCC2C)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
EPHX2 P34913 2/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 2/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 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
SCHEMBL8796492 0.85 NPC1 (0.37) HPGDALDH1A1KMT2AMEN1MAPT
SCHEMBL7960414 0.84 ALDH1A1 (0.36) HPGDALDH1A1APOBEC3AAPOBEC3GEPHX2
SCHEMBL7949988 0.84 ALDH1A1 (0.36) HPGDALDH1A1APOBEC3AAPOBEC3GEPHX2
SCHEMBL8796921 0.80 SMN1; SMN2 (0.36) HPGDALDH1A1APOBEC3AAPOBEC3GKMT2A
SCHEMBL8796230 0.79 KMT2A (0.34) HPGDALDH1A1APOBEC3AAPOBEC3GEPHX2
SCHEMBL8796950 0.78 HPGD (0.37) HPGDALDH1A1APOBEC3AAPOBEC3GEPHX2
SCHEMBL8796388 0.77 HPGD (0.35) HPGDALDH1A1APOBEC3AAPOBEC3GEPHX2
SCHEMBL7964591 0.77 MAPT (0.38) HPGDALDH1A1KMT2AMEN1CYP3A4
SCHEMBL7958051 0.77 ALDH1A1 (0.39) HPGDALDH1A1TSHR
SCHEMBL7949759 0.76 MAPT (0.40) HPGDALDH1A1KMT2AMEN1CYP3A4

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