SCHEMBL7436245

SCHEMBL7436245

C1CCC(NC2CCCCC2)CC1.CN(C)C(=O)COC(=O)CCNCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.37
EPHX2 P34913 5/20 0.36
ALDH1A1 P00352 2/20 0.35
EPHX1 P07099 1/20 0.33
POLB P06746 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
SCHEMBL7429240 0.85 PHF8 (0.35) L3MBTL1ALDH1A1
SCHEMBL7432168 0.82 EPHX2 (0.54) THRBATML3MBTL1LMNAEPHX2
SCHEMBL7429754 0.73
SCHEMBL7285870 0.70 PHF8 (0.52) L3MBTL1LMNAALDH1A1
SCHEMBL10701326 0.70 PAM (0.46) THRBLMNAALDH1A1
SCHEMBL7434725 0.70 LMNA (0.50) ATMLMNAEPHX1POLB
SCHEMBL7429768 0.69 GAA (0.48) L3MBTL1ALDH1A1
SCHEMBL7440996 0.68 NAAA (0.49) THRBL3MBTL1LMNAEPHX2ALDH1A1
SCHEMBL22915367 0.68 ALDH1A1 (0.41) ALDH1A1
Succinic Acid SCHEMBL28239934 0.68 ALDH1A1 (0.67) THRBATML3MBTL1LMNAEPHX2

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