SCHEMBL7429240

SCHEMBL7429240

CN(C)C(=O)COC(=O)CCNCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 3/20 0.35
KDM2A Q9Y2K7 3/20 0.35
EGLN1 Q9GZT9 2/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
PAM P19021 2/20 0.35
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KDM7A Q6ZMT4 1/20 0.32
CYP2D6 P10635 1/20 0.32
LTA4H P09960 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL7436245 0.85 THRB (0.39) ALDH1A1L3MBTL1
SCHEMBL7285870 0.82 PHF8 (0.52) PHF8KDM2AEGLN1KDM6BKDM5C
SCHEMBL10701326 0.82 PAM (0.46) EGLN1PAMALDH1A1KMT2AMAPT
SCHEMBL7429768 0.80 GAA (0.48) EGLN1ALDH1A1CYP1A2L3MBTL1KMT2A
SCHEMBL22915367 0.80 ALDH1A1 (0.41) PHF8KDM2AEGLN1KDM6BKDM5C
SCHEMBL25179494 0.76 CYP2D6 (0.33) PHF8KDM2AEGLN1CYP2D6LTA4H
SCHEMBL7433528 0.74 TSHR (0.58) EGLN1ALDH1A1KMT2AMAPTTSHR
SCHEMBL25183111 0.73 ALDH1A1 (0.48) PHF8KDM2AKDM5CALDH1A1KDM7A
SCHEMBL7433877 0.72 POLB (0.43) ALDH1A1L3MBTL1MAPTTSHR
SCHEMBL31369528 0.72 ALDH1A1 (0.47) PHF8KDM2AALDH1A1KDM7AKDM5A

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-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP claimed
EP-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP disclosed