SCHEMBL7444753

SCHEMBL7444753

CC(C)(C)OC(=O)C(Cc1cccc2ccccc12)N1CCC(N2CCN(c3ccc(C(N)=NO)cc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HIF1A Q16665 1/20 0.40
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ALOX15 P16050 1/20 0.37
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GFER P55789 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AOC3 Q16853 2/20 0.34
ACHE P22303 1/20 0.34
ESR1 P03372 1/20 0.34
CTSS P25774 1/20 0.33

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
SCHEMBL7437197 0.87 ITGB3 (0.41) KDM4EALDH1A1MEN1KMT2AHIF1A
SCHEMBL7437191 0.87 ITGB3 (0.41) KDM4EALDH1A1MEN1KMT2AHIF1A
SCHEMBL7444913 0.87 ESR1 (0.46) KDM4EALDH1A1MEN1KMT2AHIF1A
SCHEMBL7448790 0.79 ITGB3 (0.55) KDM4EALDH1A1MEN1KMT2AHIF1A
SCHEMBL7435906 0.79 KDM4E (0.42) KDM4EALDH1A1MEN1KMT2AHIF1A
SCHEMBL7435901 0.79 KDM4E (0.42) KDM4EALDH1A1MEN1KMT2AHIF1A
Trifluoroacetic Acid SCHEMBL7440547 0.76 ITGB3 (0.50) KDM4EALDH1A1MEN1KMT2AHIF1A
Trifluoroacetic Acid SCHEMBL7444687 0.76 ITGB3 (0.50) KDM4EALDH1A1MEN1KMT2AITGB3
SCHEMBL7338379 0.74 ITGB3 (0.54) KDM4EALDH1A1MEN1KMT2AITGB3
SCHEMBL7338384 0.74 ITGB3 (0.54) KDM4EALDH1A1MEN1KMT2AITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed