SCHEMBL8707703

SCHEMBL8707703

CCOC(=O)C1(C(=O)Cc2c(C)cc(C)cc2C)CCC(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
ALDH1A1 P00352 2/20 0.34
OPRM1 P35372 2/20 0.34
GAA P10253 1/20 0.34
OPRD1 P41143 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HRH3 Q9Y5N1 2/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
NLRP3 Q96P20 1/20 0.33
P2RX7 Q99572 1/20 0.32
POLB P06746 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
SCHEMBL8704009 0.94 MEN1 (0.33) KDM4EMEN1KMT2AALDH1A1OPRM1
SCHEMBL8710240 0.88 HRH3 (0.34) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL8708112 0.88 MEN1 (0.33) MEN1KMT2AALDH1A1OPRM1GAA
SCHEMBL8704313 0.87 MEN1 (0.33) MEN1KMT2AALDH1A1OPRM1GAA
SCHEMBL8703846 0.87 ALDH1A1 (0.36) KDM4EMEN1KMT2AALDH1A1OPRM1
SCHEMBL8703912 0.86 SMN1; SMN2 (0.40) MEN1KMT2AALDH1A1OPRM1GAA
SCHEMBL8708095 0.86 SMN1; SMN2 (0.37) MEN1KMT2AALDH1A1OPRM1GAA
SCHEMBL8705329 0.85 L3MBTL1 (0.35) KDM4EMEN1KMT2AALDH1A1OPRM1
SCHEMBL8703631 0.85 MEN1 (0.33) MEN1KMT2AALDH1A1OPRM1GAA
SCHEMBL8709044 0.85 OPRM1 (0.33) MEN1KMT2AALDH1A1OPRM1GAA

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
US-5808135-A HERBICIDE; PESTICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed