SCHEMBL8733944

SCHEMBL8733944

COC(=C1C2CC3CC1CC(Br)(C3)C2)c1cccc(OP(=O)(O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
CNR2 P34972 3/20 0.42
FAAH O00519 2/20 0.42
MEN1 O00255 2/20 0.42
ATM Q13315 1/20 0.37
SRC P12931 2/20 0.34
EPHX2 P34913 5/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
INPPL1 O15357 1/20 0.32
INPP5A Q14642 1/20 0.32
GRM6 O15303 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 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
SCHEMBL8733823 0.91 CNR2 (0.42) KMT2ACNR2FAAHMEN1ATM
SCHEMBL8729051 0.88 KMT2A (0.43) KMT2ACNR2FAAHMEN1ATM
SCHEMBL8730904 0.87 KMT2A (0.42) KMT2ACNR2FAAHMEN1ATM
SCHEMBL9179949 0.85 KMT2A (0.43) KMT2ACNR2FAAHMEN1ATM
SCHEMBL8730919 0.81 FAAH (0.43) KMT2ACNR2FAAHMEN1EPHX2
SCHEMBL8731105 0.79 KMT2A (0.42) KMT2ACNR2FAAHMEN1ATM
SCHEMBL8733834 0.78 KMT2A (0.42) KMT2ACNR2FAAHMEN1ATM
SCHEMBL15144447 0.78 KMT2A (0.42) KMT2ACNR2FAAHMEN1ATM
SCHEMBL14076760 0.76 SRC (0.36) KMT2ACNR2FAAHMEN1SRC
SCHEMBL9616774 0.75 KMT2A (0.42) KMT2ACNR2FAAHMEN1ATM

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-0497972-B1 CHEMILUMINESCENT 3-(SUBSTITUTED ADAMANT-2'-YLIDENE) 1,2-DIOXETANES TROPIX INC (US) 1998-12-23 EP claimed