SCHEMBL11564256

SCHEMBL11564256

COC(COc1cc(C)cc(OC(=O)N(C)C)c1)OC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
ACHE P22303 6/20 0.42
BCHE P06276 5/20 0.42
LMNA P02545 3/20 0.42
CYP2D6 P10635 2/20 0.42
ADRB2 P07550 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NCEH1 Q6PIU2 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
SCHEMBL10093728 0.81 RAB9A (0.61) RAB9AACHEBCHELMNACYP2D6
SCHEMBL11564369 0.80 ALDH1A1 (0.35) ACHEBCHEMEN1KMT2A
SCHEMBL19212910 0.78 RAB9A (0.53) RAB9AACHEBCHELMNACYP2D6
3,5-Dimethylphenyl Dimethylcarbamate SCHEMBL28229857 0.78 RAB9A (0.61) RAB9AACHEBCHELMNACYP2D6
SCHEMBL11566247 0.76 CYP1A2 (0.33) RAB9AACHELMNACYP2D6CYP2C19
SCHEMBL11564934 0.74 MEN1 (0.46) RAB9ALMNAMEN1KMT2ANPSR1
SCHEMBL11565494 0.74 PLA2G2A (0.34)
SCHEMBL19929839 0.74 SLC7A5 (0.46) LMNA
SCHEMBL11564217 0.73 PTPN1 (0.41) ADRB2CYP2C19MEN1KMT2A
SCHEMBL11566419 0.72 BACE1 (0.37) ACHELMNAMEN1KMT2A

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-4163112-A INSECTICIDES VELSICOL CHEMICAL CORPORATION (US) 1979-07-31 US disclosed