SCHEMBL7433510

SCHEMBL7433510

CC(C)(C)OC(=O)CNCCC(=O)OCCC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
EPHX1 P07099 2/20 0.36
KLK7 P49862 4/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
EPHX2 P34913 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL7434725 0.83 LMNA (0.50) MEN1MAPTKMT2AATMHPGD
SCHEMBL1677509 0.80 EPHX1 (0.41) MEN1MAPTKMT2AATMALDH1A1
SCHEMBL7429306 0.80 NAAA (0.47) MAPTSMN1; SMN2EPHX1KDM4EEPHX2
SCHEMBL6380333 0.78 KDM4E (0.43) MEN1MAPTKMT2AATMALDH1A1
SCHEMBL25762505 0.77 EPHX1 (0.40) MEN1MAPTKMT2AATMALDH1A1
SCHEMBL15355129 0.76 MEN1 (0.50) MEN1MAPTKMT2AATMALDH1A1
SCHEMBL12581334 0.76 MAOA (0.41) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL6018875 0.76 ALDH1A1 (0.39) MEN1MAPTKMT2AATMALDH1A1
SCHEMBL6018870 0.76 ALDH1A1 (0.39) MEN1MAPTKMT2AATMALDH1A1
SCHEMBL753960 0.75 ALDH1A1 (0.46) MEN1MAPTKMT2AALDH1A1HPGD

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