SCHEMBL7399896

SCHEMBL7399896

C[C@@H](CS)C(=O)OC(CSc1cccc2ccccc12)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 6/20 0.37
PPARA Q07869 6/20 0.37
ACE P12821 3/20 0.37
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
RECQL P46063 1/20 0.34

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
SCHEMBL7399898 1.00 LMNA (0.39) LMNAMEN1ALDH1A1HPGDKMT2A
Amantadine SCHEMBL7400190 0.88 ACE (0.36) LMNAMEN1ALDH1A1HPGDKMT2A
Amantadine SCHEMBL7400188 0.88 ACE (0.36) LMNAMEN1ALDH1A1HPGDKMT2A
SCHEMBL7488830 0.86 MME (0.42) LMNAMEN1ALDH1A1HPGDKMT2A
SCHEMBL7488825 0.86 MME (0.42) LMNAMEN1ALDH1A1HPGDKMT2A
SCHEMBL7394102 0.81 MTNR1A (0.44) ALDH1A1PPARGPPARAACE
SCHEMBL7394099 0.81 MTNR1A (0.44) ALDH1A1PPARGPPARAACE
SCHEMBL7400189 0.79 ALDH1A1 (0.35) LMNAMEN1ALDH1A1HPGDKMT2A
SCHEMBL7398653 0.75 MMP1 (0.40) LMNAMEN1ALDH1A1HPGDKMT2A
SCHEMBL7398652 0.75 MMP1 (0.40) LMNAMEN1ALDH1A1HPGDKMT2A

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