SCHEMBL7399507

SCHEMBL7399507

C[C@H](CS)C(=O)O[C@@H](CSc1ccsc1)C(=O)ONC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.35
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MME P08473 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7394661 0.87 EPHX2 (0.36) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL7396702 0.84 ALDH1A1 (0.38) HSD11B1ALDH1A1KMT2ALMNA
Amantadine SCHEMBL9298521 0.83 HSD11B1 (0.34) HSD11B1ALDH1A1MEN1KMT2AMME
Amantadine SCHEMBL7399508 0.83 HSD11B1 (0.34) HSD11B1ALDH1A1MEN1KMT2AMME
SCHEMBL7389645 0.81 ALDH1A1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL7396582 0.81 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ALMNA
SCHEMBL7400189 0.79 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ALMNA
SCHEMBL7398631 0.79 ACE (0.45) ALDH1A1MEN1KMT2A
SCHEMBL7395527 0.78 ALDH1A1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL9298679 0.78 KMT2A (0.36) ALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535042-B1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1995-03-29 EP disclosed
US-5348978-A Angiotensin converting enzyme inhibitors FISONS PLC (GB) 1994-09-20 US disclosed
EP-0535042-A1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS. FISONS PLC (GB) 1993-04-07 EP disclosed
WO-1992000276-A2 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1992-01-09 WO disclosed