SCHEMBL11567218

SCHEMBL11567218

Cc1cc(NC(=O)C2(C)CC2)ccc1OC1(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
BACE1 P56817 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
PARP1 P09874 1/20 0.37
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
P2RX7 Q99572 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
BRAF P15056 1/20 0.35
KDR P35968 1/20 0.35
HTT P42858 1/20 0.35
THRB P10828 1/20 0.35
NPY2R P49146 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
LIMK2 P53671 1/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL11435252 0.82 RORC (0.47) CNR1CNR2MAPTKDM4E
SCHEMBL11440342 0.82 CNR1 (0.42) CNR1CNR2BACE1MEN1KMT2A
SCHEMBL11045834 0.81 KMT2A (0.46) CNR1CNR2BACE1MEN1KMT2A
SCHEMBL11435806 0.78 PDE4B (0.41) CNR1CNR2LMNA
SCHEMBL11440778 0.78 HDAC1 (0.42) CNR1CNR2KDM4E
SCHEMBL11562238 0.78 KDM4E (0.39) CNR1CNR2BACE1KMT2AKDM4E
SCHEMBL15886280 0.77 BACE1 (0.52) CNR1CNR2BACE1MEN1KMT2A
SCHEMBL11427970 0.74 NPC1 (0.48) CNR1CNR2BACE1MEN1KMT2A
SCHEMBL11562302 0.73 CNR1 (0.41) CNR1CNR2BACE1MEN1KMT2A
SCHEMBL11433255 0.73 ALDH1A1 (0.64) CNR1CNR2BACE1MEN1KMT2A

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
US-4166735-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1979-09-04 US disclosed