SCHEMBL8064644

SCHEMBL8064644

COc1cccc(C23CC4CC(CC(C4)C2C=O)C3)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
FAAH O00519 1/20 0.44
CNR2 P34972 1/20 0.44
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
ADAM17 P78536 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
SIGMAR1 Q99720 3/20 0.39

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
SCHEMBL7523266 0.81 FAAH (0.41) FAAHEPHX2
SCHEMBL27966414 0.80 HSD11B1 (0.37) PRMT5WDR77MEN1KMT2AFAAH
SCHEMBL8064643 0.79 MEN1 (0.50) KDM1APRMT5WDR77MEN1KMT2A
SCHEMBL27549150 0.75 KDM1A (0.57) KDM1APRMT5WDR77MEN1KMT2A
SCHEMBL10467463 0.72 KDM1A (0.53) KDM1AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12871712 0.70 GRIN2B (0.52) KDM1AMEN1KMT2AALDH1A1ADAM17
SCHEMBL8755394 0.68 SLC6A3 (0.39) KDM1AMEN1KMT2AMAPTSLC6A4
SCHEMBL29065708 0.67 EPHX2 (0.47) MEN1KMT2AFAAHCNR2EPHX2
SCHEMBL21383340 0.67 SLC6A4 (0.54) ALDH1A1SLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL21002189 0.66 KDM1A (0.49) KDM1APRMT5WDR77MEN1KMT2A

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
JP-2000001450-A SYNTHESIS OF INTERMEDIATE OF 1,2-DIOXETANES TROPIX INC 2000-01-07 JP disclosed