SCHEMBL11020550

SCHEMBL11020550

CCOc1cc(C)ccc1-n1nc(OC)oc1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABHD16A O95870 2/20 0.45
MGLL Q99685 7/20 0.44
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.42
FAAH O00519 5/20 0.41
BCHE P06276 1/20 0.41
LIPC P11150 1/20 0.41
ACHE P22303 1/20 0.41
LIPE Q05469 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ABHD6 Q9BV23 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL11036133 0.90 KDM4E (0.49) ABHD16AMGLLKDM4ELMNATSHR
SCHEMBL10826618 0.88 ABHD16A (0.50) ABHD16AMGLLLMNAFAAHLIPC
SCHEMBL31743451 0.88 ABHD16A (0.50) ABHD16AMGLLLMNAFAAHLIPC
SCHEMBL11558642 0.83 ABHD16A (0.51) ABHD16AMGLLFAAHBCHELIPC
SCHEMBL2235276 0.75 MGLL (0.54) ABHD16AMGLLFAAHBCHELIPC
SCHEMBL11619464 0.74 ABHD16A (0.49) ABHD16AMGLLLMNAHTTFAAH
SCHEMBL74675 0.73 ABHD16A (0.57) ABHD16AMGLLFAAH
SCHEMBL2235103 0.72 ABHD16A (0.74) ABHD16AMGLLFAAHLIPCLIPE
SCHEMBL7044057 0.71 ABHD16A (0.49) ABHD16AMGLLKDM4ELMNAFAAH
SCHEMBL11556228 0.69 MGLL (0.56) ABHD16AMGLLKDM4ELMNAFAAH

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
EP-0143440-A2 Insecticidal composition MITSUBISHI KASEI CORPORATION (JP) 1985-06-05 EP claimed
EP-0143440-A2 Insecticidal composition MITSUBISHI KASEI CORPORATION (JP) 1985-06-05 EP disclosed