SCHEMBL9696362

SCHEMBL9696362

CCOC(=O)NCCOc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.61
NPC1 O15118 3/20 0.58
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
ATM Q13315 1/20 0.50
ACACB O00763 1/20 0.48
GLA P06280 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.46
HPGD P15428 1/20 0.46
CRHBP P24387 1/20 0.46
RAB9A P51151 1/20 0.46
CRHR2 Q13324 1/20 0.46
MTNR1A P48039 1/20 0.46

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
SCHEMBL11311557 0.89 L3MBTL1 (0.59) L3MBTL1NPC1MAPTKMT2AALDH1A1
SCHEMBL11308352 0.89 NPC1 (0.62) L3MBTL1NPC1MAPTKMT2AALDH1A1
SCHEMBL11309905 0.89 NPC1 (0.60) L3MBTL1NPC1MAPTKMT2AALDH1A1
SCHEMBL11434374 0.88 L3MBTL1 (0.57) L3MBTL1NPC1MAPTKMT2AALDH1A1
SCHEMBL8966413 0.87 FAAH (0.53) L3MBTL1NPC1MAPTKMT2ADRD2
Phenoxycarb SCHEMBL7944821 0.87 L3MBTL1 (0.62) L3MBTL1NPC1MAPTALDH1A1SMN1; SMN2
Phenoxycarb SCHEMBL27336 0.87 L3MBTL1 (0.62) L3MBTL1NPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL11428454 0.87 L3MBTL1 (0.56) L3MBTL1NPC1MAPTKMT2AALDH1A1
SCHEMBL9157608 0.86 L3MBTL1 (0.53) L3MBTL1NPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL9632354 0.86 MAPT (0.51) L3MBTL1NPC1MAPTKMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5141956-A Agricultural insecticides CIBA-GEIGY CORPORATION (US) 1992-08-25 US disclosed
US-4215139-A PESTICIDES, INSECTICIDES HOFFMANN-LA ROCHE INC. (US) 1980-07-29 US disclosed