SCHEMBL11026792

SCHEMBL11026792

CC(C)COC(=O)Nc1c(F)cc(C(O)CNC(C)(C)C)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.39
LMNA P02545 5/20 0.39
CYP2D6 P10635 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP7 P55210 2/20 0.38
KMT2A Q03164 2/20 0.38
HIF1A Q16665 2/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
ADRB1 P08588 3/20 0.38
ADRB3 P13945 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CASP1 P29466 1/20 0.37
MEN1 O00255 1/20 0.37
BLM P54132 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
Hydrochloric Acid SCHEMBL11055432 0.99 LMNA (0.38) ADRB2LMNACYP2D6BCHEACHE
SCHEMBL158695 0.90 LMNA (0.40) ADRB2LMNACYP2D6BCHEACHE
SCHEMBL29798791 0.90 LMNA (0.40) ADRB2LMNACYP2D6BCHEACHE
Hydrochloric Acid SCHEMBL8886084 0.89 LMNA (0.39) ADRB2LMNACYP2D6BCHEACHE
SCHEMBL121592 0.74 ADRB2 (0.38) ADRB2LMNAKMT2AADRB1
SCHEMBL11023914 0.74 LMNA (0.42) ADRB2LMNACYP2D6BCHEACHE
SCHEMBL11026312 0.74 LMNA (0.50) ADRB2LMNACYP2D6BCHEACHE
SCHEMBL10659323 0.73 ADRB2 (0.55) ADRB2LMNACYP2D6BCHEACHE
Hydrochloric Acid SCHEMBL10896355 0.73 LMNA (0.51) ADRB2LMNACYP2D6BCHEACHE
Hydrochloric Acid SCHEMBL11059071 0.73 LMNA (0.41) ADRB2LMNACYP2D6BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0057900-B1 ANIMAL FEED ADDITIVE FOR IMPROVING GROWTH Dr. Karl Thomae GmbH (DE) 1985-05-08 EP claimed
EP-0057900-B1 ANIMAL FEED ADDITIVE FOR IMPROVING GROWTH Dr. Karl Thomae GmbH (DE) 1985-05-08 EP disclosed
EP-0057900-A1 Animal feed additive for improving growth Dr. Karl Thomae GmbH (DE) 1982-08-18 EP disclosed