SCHEMBL11029110

SCHEMBL11029110

CCOC(=O)Nc1c(C)cc(C(O)CNC(C)(C)C)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
ADRB2 P07550 3/20 0.44
CASP7 P55210 2/20 0.44
KMT2A Q03164 2/20 0.44
HIF1A Q16665 2/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2D6 P10635 2/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 2/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
BLM P54132 1/20 0.42
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40

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 SCHEMBL11058253 0.99 LMNA (0.43) LMNAADRB2CASP7KMT2AHIF1A
SCHEMBL11023914 0.89 LMNA (0.42) LMNAADRB2CASP7KMT2AHIF1A
Hydrochloric Acid SCHEMBL11059071 0.88 LMNA (0.41) LMNAADRB2CASP7KMT2AHIF1A
SCHEMBL11547841 0.83 LMNA (0.50) LMNAADRB2CASP7KMT2AHIF1A
SCHEMBL11546319 0.82 LMNA (0.56) LMNAADRB2CASP7KMT2AHIF1A
Hydrochloric Acid SCHEMBL11546316 0.81 LMNA (0.56) LMNAADRB2CASP7KMT2AHIF1A
SCHEMBL11553940 0.78 LMNA (0.53) LMNAADRB2CASP7KMT2AHIF1A
SCHEMBL11026312 0.77 LMNA (0.50) LMNAADRB2CASP7KMT2AHIF1A
Hydrochloric Acid SCHEMBL10896355 0.76 LMNA (0.51) LMNAADRB2CASP7KMT2AHIF1A
SCHEMBL10886060 0.76 LMNA (0.49) LMNAADRB2CASP7KMT2AHIF1A

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 6 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
EP-0008715-B1 PHENYLETHANOLAMINES FOR USE IN COMBATTING INFLAMMATORY CONDITIONS Dr. Karl Thomae GmbH (DE) 1981-11-25 EP disclosed
US-4244967-A ANTIIFLAMMATORY AND ANTIRHEUMATIC PROPERTIES BOEHRINGER INGELHEIM GMBH (DE) 1981-01-13 US disclosed
EP-0008715-A1 Phenylethanolamines for use in combatting inflammatory conditions Dr. Karl Thomae GmbH (DE) 1980-03-19 EP disclosed