SCHEMBL8730904

SCHEMBL8730904

COC(=C1C2CC3CC1CC(Cl)(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
MEN1 O00255 2/20 0.42
FAAH O00519 2/20 0.42
CNR2 P34972 2/20 0.42
ATM Q13315 1/20 0.37
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
SRC P12931 2/20 0.34
EPHX2 P34913 5/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GRM5 P41594 1/20 0.33
GRM6 O15303 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
GRM4 Q14833 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
SCHEMBL8733834 0.91 KMT2A (0.42) KMT2AMEN1FAAHCNR2ATM
SCHEMBL8729051 0.88 KMT2A (0.43) KMT2AMEN1FAAHCNR2ATM
SCHEMBL8733944 0.87 KMT2A (0.42) KMT2AMEN1FAAHCNR2ATM
SCHEMBL9179949 0.85 KMT2A (0.43) KMT2AMEN1FAAHCNR2ATM
SCHEMBL7620857 0.83 FAAH (0.37) KMT2AMEN1FAAHCNR2ATM
SCHEMBL8734196 0.81 KMT2A (0.41) KMT2AMEN1FAAHCNR2ATM
SCHEMBL25410597 0.81 FAAH (0.43) KMT2AMEN1FAAHCNR2ALDH1A1
SCHEMBL2626945 0.81 FAAH (0.43) KMT2AMEN1FAAHCNR2ALDH1A1
SCHEMBL25317885 0.81 FAAH (0.43) KMT2AMEN1FAAHCNR2ALDH1A1
SCHEMBL30518974 0.81 FAAH (0.43) KMT2AMEN1FAAHCNR2ALDH1A1

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