SCHEMBL8064643

SCHEMBL8064643

COc1cccc(C23CC4CC(CC(C4)C2C(=O)C2C4CC5CC(C4)CC2(c2cccc(OC)c2)C5)C3)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
FAAH O00519 1/20 0.50
CNR2 P34972 1/20 0.50
EPHX2 P34913 1/20 0.48
KDM1A O60341 1/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
ADAM17 P78536 1/20 0.45
P2RX2 Q9UBL9 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
GRIN2B Q13224 4/20 0.43
POLB P06746 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL7523786 0.84 ELANE (0.38) MEN1KMT2AFAAHCNR2EPHX2
SCHEMBL7523253 0.82 FAAH (0.45) MEN1KMT2AFAAHEPHX2
SCHEMBL8064644 0.79 KDM1A (0.46) MEN1KMT2AFAAHCNR2EPHX2
SCHEMBL27549150 0.75 KDM1A (0.57) MEN1KMT2AFAAHCNR2EPHX2
SCHEMBL5475255 0.71 HSD11B1 (0.44) MEN1KMT2AFAAHCNR2EPHX2
SCHEMBL29065708 0.70 EPHX2 (0.47) MEN1KMT2AFAAHCNR2EPHX2
SCHEMBL21002189 0.69 KDM1A (0.49) MEN1KMT2AFAAHCNR2KDM1A
SCHEMBL30791157 0.69 KDM1A (0.49) MEN1KMT2AFAAHCNR2KDM1A
SCHEMBL7523248 0.68 EPHX2 (0.43) MEN1KMT2AFAAHCNR2EPHX2
SCHEMBL31609059 0.68 KDM1A (0.45) MEN1KMT2AFAAHCNR2KDM1A

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