SCHEMBL11030322

SCHEMBL11030322

CCOC(=O)Nc1ccc(C(O)CNC(C)(C)C)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ADRB2 P07550 3/20 0.43
CYP2D6 P10635 3/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
HIF1A Q16665 1/20 0.43
ADRB1 P08588 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNQ4 P56696 1/20 0.43
KCNQ5 Q9NR82 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PMP22 Q01453 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.41

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 SCHEMBL11052467 0.99 CYP1A2 (0.45) CYP1A2CYP2C19CYP2C9SMN1; SMN2ADRB2
SCHEMBL11027641 0.83 NLRP3 (0.46) CYP1A2CYP2C19CYP2C9SMN1; SMN2ADRB2
SCHEMBL11027035 0.82 KMT2A (0.47) CYP1A2CYP2C19CYP2C9SMN1; SMN2ADRB2
Hydrochloric Acid SCHEMBL11063864 0.81 L3MBTL1 (0.47) CYP1A2CYP2C19CYP2C9SMN1; SMN2ADRB2
SCHEMBL4826373 0.80 CYP1A2 (0.55) CYP1A2CYP2C19CYP2C9SMN1; SMN2CYP2D6
SCHEMBL11026312 0.80 LMNA (0.50) CYP2C19CYP2C9SMN1; SMN2ADRB2CYP2D6
SCHEMBL11023914 0.80 LMNA (0.42) CYP2C19CYP2C9SMN1; SMN2ADRB2CYP2D6
SCHEMBL11638779 0.79 HDAC1 (0.45) CYP1A2SMN1; SMN2ADRB2CYP2D6TSHR
Hydrochloric Acid SCHEMBL11059071 0.79 LMNA (0.41) CYP2C19CYP2C9SMN1; SMN2ADRB2CYP2D6
Hydrochloric Acid SCHEMBL10896355 0.79 LMNA (0.51) CYP2C19CYP2C9SMN1; SMN2ADRB2CYP2D6

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