SCHEMBL7400189

SCHEMBL7400189

C[C@H](CS)C(=O)O[C@@H](CSc1cccc2ccccc12)C(=O)ONC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
LMNA P02545 4/20 0.35
EPHX2 P34913 3/20 0.35
ACE P12821 1/20 0.34
KMT2A Q03164 3/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.32
CNR2 P34972 3/20 0.32
MAPT P10636 3/20 0.32
CASP1 P29466 2/20 0.31
CASP3 P42574 2/20 0.31
CASP7 P55210 2/20 0.31
CASP6 P55212 2/20 0.31
CASP8 Q14790 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
GBA1 P04062 1/20 0.30
G6PD P11413 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 0.85 EPHX2 (0.36) ALDH1A1LMNAEPHX2ACEKMT2A
Amantadine SCHEMBL7400188 0.83 ACE (0.36) ALDH1A1LMNAEPHX2ACEKMT2A
Amantadine SCHEMBL7400190 0.83 ACE (0.36) ALDH1A1LMNAEPHX2ACEKMT2A
SCHEMBL7396702 0.81 ALDH1A1 (0.38) ALDH1A1LMNAKMT2A
SCHEMBL7398631 0.81 ACE (0.45) ALDH1A1EPHX2ACEKMT2AMEN1
SCHEMBL7389645 0.80 ALDH1A1 (0.35) ALDH1A1EPHX2KMT2AMEN1MAPT
SCHEMBL7396582 0.80 ALDH1A1 (0.36) ALDH1A1LMNAEPHX2KMT2AMEN1
SCHEMBL7399896 0.79 LMNA (0.39) ALDH1A1LMNAACEKMT2AHPGD
SCHEMBL7399898 0.79 LMNA (0.39) ALDH1A1LMNAACEKMT2AHPGD
SCHEMBL7399507 0.79 HSD11B1 (0.35) ALDH1A1LMNAKMT2AMEN1

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