SCHEMBL11036133

SCHEMBL11036133

CCOc1ccc(C)cc1-n1nc(OC)oc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ABHD16A O95870 2/20 0.45
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
MGLL Q99685 5/20 0.43
FAAH O00519 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 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
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ABHD6 Q9BV23 1/20 0.37

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
SCHEMBL11020550 0.90 ABHD16A (0.45) KDM4EABHD16ATSHRLMNAHTT
SCHEMBL11558642 0.83 ABHD16A (0.51) ABHD16AMGLLFAAHBCHELIPC
SCHEMBL10826618 0.80 ABHD16A (0.50) ABHD16ALMNAMGLLFAAHLIPC
SCHEMBL31743451 0.80 ABHD16A (0.50) ABHD16ALMNAMGLLFAAHLIPC
SCHEMBL2235276 0.73 MGLL (0.54) ABHD16AMGLLFAAHBCHELIPC
SCHEMBL2235103 0.72 ABHD16A (0.74) ABHD16AMGLLFAAHRAB9ALIPC
SCHEMBL74675 0.70 ABHD16A (0.57) ABHD16AMGLLFAAH
SCHEMBL11556228 0.69 MGLL (0.56) KDM4EABHD16ALMNAMGLLFAAH
SCHEMBL11618056 0.69 MGLL (0.50) ABHD16AMGLLFAAHBCHELIPC
SCHEMBL11619465 0.69 ABHD16A (0.49) ABHD16AMGLLFAAHLIPCLIPE

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