SCHEMBL6676794

SCHEMBL6676794

CC(C)(C)OC(=O)C1(NCC(=O)O)CCCC1.O=C(O)CNC1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
EPHX1 P07099 2/20 0.36
BTK Q06187 1/20 0.35
GAA P10253 1/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
EPHX2 P34913 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6864504 0.88 MME (0.33) ITGB3ITGA2B
SCHEMBL1782571 0.86 MME (0.33) MAPTEPHX1ALDH1A1ITGB3ITGA2B
Water SCHEMBL6244439 0.85 MME (0.32) MAPTEPHX1ALDH1A1ITGB3ITGA2B
SCHEMBL22529222 0.82 CYP4F2 (0.31) GAAMEN1KMT2AITGB3ITGA2B
SCHEMBL3525418 0.74 CA12 (0.42) MAPTEPHX1ALDH1A1EPHX2
SCHEMBL515555 0.72 ALDH1A1 (0.47) MAPTEPHX1KDM4EPOLBALDH1A1
SCHEMBL7277999 0.71 EPHX1 (0.46) EPHX1BTKGAAKDM4EPOLB
SCHEMBL159315 0.70 ALDH1A1 (0.50) MAPTEPHX1KDM4EPOLBALDH1A1
Hydrochloric Acid SCHEMBL8591556 0.70 ALDH1A1 (0.45) KDM4ELMNAPOLBALDH1A1MEN1
SCHEMBL250459 0.70 ALDH1A1 (0.50) MAPTEPHX1KDM4EPOLBALDH1A1

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
EP-0813544-B1 BRADYKININ ANTAGONIST PEPTIDES INCORPORATING N-SUBSTITUTED GLYCINES CORTECH INC (US) 2004-10-27 EP disclosed