SCHEMBL7401448

SCHEMBL7401448

CCC(NC(=O)CCCO)N(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
FAAH O00519 1/20 0.38
MAPK1 P28482 1/20 0.38
CNR2 P34972 5/20 0.35
DNM1 Q05193 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
KCNK3 O14649 1/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NOD1 Q9Y239 1/20 0.32
POLB P06746 1/20 0.32
PLA2G2C Q5R387 1/20 0.32
GAA P10253 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
SCHEMBL76255 0.84 FAAH (0.58) KMT2AMEN1FAAHMAPK1CNR2
SCHEMBL117353 0.84 FAAH (0.58) KMT2AMEN1FAAHMAPK1CNR2
SCHEMBL75691 0.84 FAAH (0.58) KMT2AMEN1FAAHMAPK1CNR2
SCHEMBL74738 0.84 FAAH (0.58) KMT2AMEN1FAAHMAPK1CNR2
SCHEMBL76219 0.84 FAAH (0.58) KMT2AMEN1FAAHMAPK1CNR2
SCHEMBL785830 0.84 FAAH (0.58) KMT2AMEN1FAAHMAPK1CNR2
Hydrochloric Acid SCHEMBL17394702 0.83 FAAH (0.56) KMT2AMEN1FAAHMAPK1CNR2
Phosphoric Acid SCHEMBL4609086 0.79 MEN1 (0.51) KMT2AMEN1FAAHMAPK1CNR2
SCHEMBL29013598 0.79 FAAH (0.51) KMT2AMEN1FAAHMAPK1CNR2
SCHEMBL19847081 0.79 FAAH (0.51) KMT2AMEN1FAAHMAPK1CNR2

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
WO-1997010243-A1 2-(PYRAZOL-5-YL-OXYMETHYL)-1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (US) 1997-03-20 WO disclosed